data_1jxf_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 1jxf _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.463 ' CB ' HG22 ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.2 m -142.53 126.82 17.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.388 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.43 ' CG2' ' HD2' ' A' ' 18' ' ' PRO . 79.1 t -129.37 139.71 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.11 132.35 52.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.588 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.9 OUTLIER -79.01 52.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 110.967 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 162.71 -139.84 6.16 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.411 ' HB3' ' CG2' ' A' ' 15' ' ' VAL . 86.6 p -156.03 143.41 19.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.17 69.41 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -168.63 -68.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.002 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.85 47.8 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.06 131.53 19.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.477 ' CD2' HD23 ' A' ' 36' ' ' LEU . 1.7 pp -80.33 100.46 8.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.411 ' CG2' ' HB3' ' A' ' 9' ' ' SER . 33.8 m -142.85 168.73 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.567 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 29.9 m-85 -118.92 102.19 8.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.481 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.1 tt0 -129.53 135.88 28.23 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.97 133.77 32.89 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.017 0.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.422 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 59.5 p -54.62 -23.18 15.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.962 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.9 m -142.57 129.31 20.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.43 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.464 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -129.46 144.31 38.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.3 m -128.37 119.49 25.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.385 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.474 HD13 ' CB ' ' A' ' 73' ' ' PHE . 1.1 pp -131.35 -179.35 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -74.56 176.66 6.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.72 92.58 5.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.92 -16.36 2.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.458 1.099 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.48 172.26 13.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.61 175.97 5.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.7 t -142.11 136.95 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -112.42 145.24 40.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 8.8 m-90 -110.27 175.18 5.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 108.006 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.1 t -143.41 145.42 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.96 145.34 34.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -137.64 -163.04 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -87.39 -179.88 6.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.238 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.477 HD23 ' CD2' ' A' ' 14' ' ' LEU . 1.2 mp 68.41 32.87 4.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.537 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -74.89 163.11 70.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.011 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.571 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.4 Cg_endo -74.97 163.37 90.86 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.033 -0.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 7' ' ' MET . 1.3 m-70 -130.12 99.81 5.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.578 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 60' ' ' GLY . 7.1 m-20 -83.02 168.11 17.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.415 ' CD1' ' HG2' ' A' ' 7' ' ' MET . 44.2 mt -145.09 99.93 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.36 120.2 64.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.582 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -90.87 95.75 10.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.557 ' HB1' ' CE2' ' A' ' 82' ' ' TYR . . . -74.73 119.82 19.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.4 95.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.8 OUTLIER -121.26 73.86 1.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.369 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.76 -24.95 13.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.44 HG12 ' CD2' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -103.5 -179.69 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.78 170.97 14.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -82.84 -69.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -43.1 -39.84 2.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.513 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 1.5 m -61.49 -61.21 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.412 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -63.37 -13.54 40.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -65.21 -63.14 1.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -59.09 -27.88 65.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.38 -29.47 47.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 53' ' ' ALA . 82.4 p -74.61 155.08 38.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.995 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -132.23 100.15 4.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.621 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -86.23 49.36 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.436 ' O ' ' ND2' ' A' ' 40' ' ' ASN . . . -118.47 -143.04 7.14 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.498 HD12 ' CE1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -159.78 -176.22 5.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 0.724 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.91 125.33 13.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 13.1 m-85 -133.32 -43.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.48 131.97 34.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.13 97.13 8.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.57 -25.23 0.44 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -75.79 140.74 42.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 110.321 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.5 m -135.9 164.86 26.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.165 . . . . 0.0 109.988 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -119.78 172.98 7.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.4 m -136.88 150.55 48.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 110.397 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.0 t -145.07 137.67 26.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.969 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.3 m -93.61 123.01 36.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 110.364 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.561 ' CZ ' HG12 ' A' ' 95' ' ' VAL . 4.1 m-30 -103.2 43.75 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.1 m -66.16 -69.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.379 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.5 124.4 75.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.326 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 112.75 3.63 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -166.1 -153.83 7.92 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.47 1.107 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 t -134.6 109.85 8.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 110.393 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.574 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 81.9 m-85 -101.88 133.33 46.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.3 m -118.58 110.9 17.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.427 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.582 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 36.3 p90 -110.65 129.79 55.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.557 ' CE2' ' HB1' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -127.09 178.55 5.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 87' ' ' ARG . 0.1 OUTLIER -80.94 126.16 31.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 108.274 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.514 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -61.71 -50.5 81.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.1 Cg_endo -75.01 -16.96 19.91 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.477 1.777 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.403 ' ND1' ' SG ' ' A' ' 83' ' ' CYS . 0.3 OUTLIER -127.99 45.48 2.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.586 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.2 OUTLIER -76.24 -0.43 22.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.255 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -151.0 59.08 0.43 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.53 -50.34 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 146.97 46.28 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.567 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -143.58 99.27 3.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 111.014 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.456 ' CG2' ' N ' ' A' ' 93' ' ' GLY . 3.0 p -145.95 167.32 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.456 ' N ' ' CG2' ' A' ' 92' ' ' VAL . . . -141.74 158.1 26.52 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.85 144.07 50.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.744 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.561 HG12 ' CZ ' ' A' ' 73' ' ' PHE . 24.5 t -125.08 150.57 30.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.5 t -144.77 116.12 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.3 t -105.2 142.87 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.453 ' CB ' HG21 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.6 m -75.49 128.2 34.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.483 ' CG2' HG12 ' A' ' 21' ' ' VAL . 34.3 t -145.11 101.37 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -82.02 127.01 32.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.547 1.155 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.42 ' HB2' ' CE1' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -94.96 37.1 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 177.8 136.85 2.6 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.7 p -77.06 134.14 38.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 110.016 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.416 ' OD1' ' ND2' ' A' ' 34' ' ' ASN . 16.0 m-20 -74.8 64.04 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.14 -72.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.022 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.08 38.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.43 1.081 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.07 157.74 44.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 0.782 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.439 HD13 ' CB ' ' A' ' 91' ' ' MET . 0.3 OUTLIER -104.61 100.55 10.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.24 -179.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.0 m -139.88 132.15 34.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.579 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 31.3 m-85 -83.47 118.62 23.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 111.088 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.501 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.7 tt0 -138.12 134.02 17.64 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.288 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.0 132.31 27.14 Favored 'Cis proline' 0 C--N 1.361 1.209 0 C-N-CA 121.06 -2.475 . . . . 0.0 110.971 0.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.454 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 15.8 t -44.3 -37.4 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.013 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -131.55 109.83 10.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.354 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.483 HG12 ' CG2' ' A' ' 5' ' ' VAL . 1.0 OUTLIER -105.65 131.86 54.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.7 m -122.33 102.86 8.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.602 1.189 . . . . 0.0 110.359 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.563 HD13 ' CD2' ' A' ' 73' ' ' PHE . 1.3 pt -116.33 -179.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.257 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.54 172.93 12.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.24 126.66 36.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.16 -4.61 41.29 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.468 1.105 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.417 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 2.0 tt0 -88.9 -179.79 6.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.88 151.65 48.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.555 HG11 ' CZ3' ' A' ' 31' ' ' TRP . 5.6 t -122.32 119.36 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.71 147.36 26.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.555 ' CZ3' HG11 ' A' ' 29' ' ' VAL . 3.0 m-90 -123.33 122.68 38.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.1 t -87.03 134.92 26.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.439 1.087 . . . . 0.0 109.359 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -77.74 116.66 18.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.358 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.416 ' ND2' ' OD1' ' A' ' 10' ' ' ASP . 1.7 t-20 -103.24 -167.19 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -76.15 175.36 9.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.247 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.596 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.3 OUTLIER 77.9 69.82 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.505 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -114.67 161.89 26.46 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 110.034 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.505 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.05 140.51 67.69 Favored 'Cis proline' 0 C--N 1.359 1.116 0 C-N-CA 120.932 -2.528 . . . . 0.0 111.004 0.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -140.45 100.07 3.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.645 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -94.62 173.16 7.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 31' ' ' TRP . 79.0 mt -117.86 107.41 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.212 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.485 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -108.41 132.94 54.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.243 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.626 ' CD2' ' CB ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -91.74 92.14 8.28 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.539 1.149 . . . . 0.0 111.019 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.43 99.95 3.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.23 97.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -110.05 62.6 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.382 1.051 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 118.86 -22.15 9.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.447 1.092 . . . . 0.0 111.047 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.58 HG12 ' CD1' ' A' ' 79' ' ' TYR . 2.5 p -91.27 179.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.04 133.95 40.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.62 -50.65 73.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.242 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.38 -37.08 46.31 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.463 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 92.9 m -72.53 -39.83 67.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.363 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.18 -18.33 63.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.414 1.072 . . . . 0.0 109.273 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.78 -35.3 38.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -78.41 -18.96 54.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.626 ' CB ' ' CD2' ' A' ' 43' ' ' PHE . 1.1 mp -104.98 -3.73 22.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.59 151.79 22.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 110.044 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' ILE . 24.7 m-70 -140.63 99.93 3.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.599 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.485 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 2.3 mttt -97.29 43.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.59 -171.13 46.89 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.441 1.088 . . . . 0.0 110.961 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -120.3 114.67 22.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.24 118.14 27.62 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -140.63 -47.46 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.19 114.57 24.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.08 93.93 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.36 -31.74 0.15 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.437 1.086 . . . . 0.0 110.986 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -75.09 127.3 32.9 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.446 0.733 . . . . 0.0 110.279 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.9 p -124.08 142.6 51.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.437 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 22.0 m-85 -96.25 170.74 9.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.39 124.72 13.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.444 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.474 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 1.3 m -113.82 133.24 55.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.973 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.511 ' O ' ' CD2' ' A' ' 56' ' ' LEU . 2.3 m -74.82 121.3 21.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.564 ' CZ ' HG13 ' A' ' 95' ' ' VAL . 3.7 m-30 -104.03 64.68 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 81.5 p -85.8 -68.92 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.442 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.17 118.85 23.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.217 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 101.19 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -162.6 -138.25 2.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.4 m -140.76 133.14 28.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 110.365 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.593 ' CB ' ' CE2' ' A' ' 43' ' ' PHE . 96.8 m-85 -124.79 104.53 8.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 111.03 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.3 m -77.86 101.02 6.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 110.42 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.555 ' CE1' HG22 ' A' ' 95' ' ' VAL . 29.3 p90 -111.22 138.77 47.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.424 ' HA ' ' CZ ' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -143.95 -179.79 6.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.412 1.07 . . . . 0.0 111.016 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.0 p -87.32 110.31 20.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 108.309 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.519 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 5.0 tt0 -43.58 -50.75 17.0 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.535 ' O ' ' CG ' ' A' ' 86' ' ' HIS . 18.1 Cg_endo -75.09 56.87 4.44 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.535 ' CG ' ' O ' ' A' ' 85' ' ' PRO . 1.2 m170 167.78 42.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.584 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -76.71 60.43 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 139.63 61.4 0.04 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -135.63 -47.01 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 0.762 . . . . 0.0 109.341 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 133.94 43.38 0.13 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.579 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.9 OUTLIER -145.33 99.07 3.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 0.75 . . . . 0.0 110.979 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 31.6 t -146.21 161.01 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.23 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -125.8 169.76 17.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.2 109.83 7.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 0.771 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.564 HG13 ' CZ ' ' A' ' 73' ' ' PHE . 8.9 t -86.0 148.81 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.2 t -144.68 106.93 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.302 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.461 HG21 ' CD2' ' A' ' 73' ' ' PHE . 48.2 t -94.85 146.65 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.1 t0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.46 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.3 m -120.27 131.84 55.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.44 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.8 t -143.79 119.39 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.44 149.05 23.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.48 ' O ' ' CE ' ' A' ' 91' ' ' MET . 3.5 mtm -76.21 -49.87 16.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -110.67 -130.74 5.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.3 p -141.65 149.1 40.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.592 0.819 . . . . 0.0 110.028 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -74.88 64.83 1.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.31 -64.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 110.068 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.87 49.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.99 123.56 12.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 109.337 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -80.15 102.32 9.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.259 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.8 m -142.78 132.15 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -82.44 102.02 11.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 111.056 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.504 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -145.08 136.45 12.64 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 110.273 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.02 132.78 28.72 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.971 -2.512 . . . . 0.0 111.052 0.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.452 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 63.2 p -59.86 -36.12 76.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -119.81 127.61 52.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.43 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 1.4 m -139.21 145.51 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 m -135.64 115.99 13.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 110.474 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.46 ' CG2' ' HB3' ' A' ' 3' ' ' ALA . 4.2 pt -119.5 -179.81 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -75.99 174.74 9.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.4 126.66 39.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.21 -18.94 30.25 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.509 1.13 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.96 179.0 7.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.407 0.71 . . . . 0.0 110.247 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -126.26 169.47 12.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.321 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.568 HG12 ' CZ3' ' A' ' 31' ' ' TRP . 13.2 t -123.35 140.89 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -109.29 149.38 29.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.366 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 2.6 m-90 -123.85 151.67 43.18 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.2 t -141.59 125.36 16.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -81.89 166.17 20.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -145.42 -80.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -138.2 177.41 7.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.231 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 1.2 mm? 66.14 54.85 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.511 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -90.62 162.57 33.37 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.007 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.572 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.5 Cg_endo -75.02 163.03 91.66 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.05 -0.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -140.22 108.37 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.103 . . . . 0.0 109.669 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.62 -179.47 3.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.466 1.104 . . . . 0.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.437 HD11 ' CD1' ' A' ' 31' ' ' TRP . 1.3 mp -130.93 105.82 11.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.425 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -112.77 114.81 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 109.31 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -95.84 99.12 10.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.535 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . . . -74.66 113.27 11.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.214 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.0 96.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -126.95 78.79 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.63 -24.85 11.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.48 1.113 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.555 HG11 ' CE2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -104.09 -179.59 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.91 171.1 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.44 -69.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.99 -42.35 8.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.518 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 2.8 m -58.73 -48.91 79.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 110.38 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -72.85 -14.81 61.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.16 -46.32 77.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.96 -37.17 70.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.416 1.073 . . . . 0.0 109.308 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.445 HD22 ' CZ ' ' A' ' 79' ' ' TYR . 6.1 mp -74.73 -22.69 58.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -74.38 145.8 43.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.034 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' ILE . 6.0 m-70 -131.6 99.96 4.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.547 1.154 . . . . 0.0 109.576 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.425 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -105.75 50.87 0.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 109.356 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 61' ' ' LEU . . . -133.97 78.61 0.35 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.464 ' CD1' ' CE1' ' A' ' 63' ' ' PHE . 1.1 pp -40.31 159.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 0.742 . . . . 0.0 109.253 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -123.83 131.9 53.67 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.125 . . . . 0.0 109.232 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 8.2 m-85 -126.38 32.11 5.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 110.961 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.78 134.97 27.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.26 73.36 3.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.22 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.45 44.02 0.02 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.509 1.131 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -121.2 132.39 54.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.4 m -138.03 122.12 17.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 0.0 109.977 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -93.48 167.1 11.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.1 m -132.61 154.7 49.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 110.397 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.4 p -145.13 131.49 19.63 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 1.146 . . . . 0.0 110.023 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.3 m -84.79 106.69 16.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 110.359 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.57 ' CZ ' HG12 ' A' ' 95' ' ' VAL . 4.2 m-30 -91.91 60.0 3.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -78.97 -64.72 1.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.381 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.91 119.08 55.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 107.26 2.44 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.451 1.764 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.7 -152.96 6.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.6 m -132.2 95.8 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 110.411 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.59 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 96.8 m-85 -93.93 138.87 31.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.1 m -121.27 111.02 16.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.099 . . . . 0.0 110.383 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.583 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 38.3 p90 -109.78 139.91 44.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.535 ' CE2' ' HB3' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -141.14 -179.29 6.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.411 1.069 . . . . 0.0 111.072 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.461 ' SG ' ' ND1' ' A' ' 86' ' ' HIS . 0.5 OUTLIER -85.88 125.91 33.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 108.262 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.541 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -62.47 -48.77 86.03 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -74.99 -18.66 18.56 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.501 1.79 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.461 ' ND1' ' SG ' ' A' ' 83' ' ' CYS . 0.2 OUTLIER -127.74 45.21 2.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.627 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.9 OUTLIER -77.99 -29.76 49.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -117.83 47.03 1.07 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.411 1.069 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.68 -50.5 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 148.01 45.44 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.48 ' CE ' ' O ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -136.51 98.44 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 0.735 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.467 ' CG2' ' N ' ' A' ' 93' ' ' GLY . 3.0 p -146.66 167.99 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.467 ' N ' ' CG2' ' A' ' 92' ' ' VAL . . . -152.44 149.9 21.63 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.582 1.177 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.98 150.4 29.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.57 HG12 ' CZ ' ' A' ' 73' ' ' PHE . 12.9 t -134.01 145.96 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.6 t -142.76 104.84 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.435 1.084 . . . . 0.0 109.336 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.531 HG22 ' CD2' ' A' ' 73' ' ' PHE . 63.8 t -84.88 144.46 9.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.379 1.049 . . . . 0.0 109.268 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.407 ' HB1' ' CG2' ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.4 m -136.08 123.81 22.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 110.384 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.9 t -107.88 133.67 52.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.15 115.22 27.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.91 99.59 6.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.17 102.81 2.6 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 m -43.5 148.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 110.032 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -74.39 60.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.05 -70.79 0.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.66 42.0 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.581 1.175 . . . . 0.0 111.005 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.17 121.45 10.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 0.777 . . . . 0.0 109.236 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 pp -77.38 99.59 5.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.6 m -141.3 135.0 31.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.607 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 13.7 m-85 -78.0 108.43 11.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.492 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -136.84 134.88 19.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.01 133.34 30.98 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.018 -0.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.435 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 60.3 p -49.13 -36.12 18.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 m -129.68 114.07 15.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.384 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.429 HG22 ' CG2' ' A' ' 95' ' ' VAL . 1.0 OUTLIER -111.75 129.45 67.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.4 m -125.38 103.03 7.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.122 . . . . 0.0 110.403 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.703 ' CD1' ' CD2' ' A' ' 73' ' ' PHE . 2.3 pt -107.87 -179.87 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -80.69 177.65 8.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.3 93.62 8.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.31 -10.65 3.82 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -75.22 178.65 5.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 0.744 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.95 172.1 8.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.565 HG13 ' CZ3' ' A' ' 31' ' ' TRP . 30.6 t -141.72 121.75 11.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.68 144.44 34.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.577 ' CD1' ' CD1' ' A' ' 41' ' ' ILE . 10.6 m-90 -111.7 148.71 32.86 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.4 t -135.76 124.04 37.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -78.17 143.79 36.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -126.3 -86.68 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.78 -179.34 6.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.591 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 3.0 mm? 67.86 44.85 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.172 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.573 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -85.29 164.8 39.38 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.573 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.98 160.92 95.84 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.99 -0.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 3.8 m-70 -136.84 100.03 4.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.567 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 60' ' ' GLY . 3.4 m-20 -95.3 170.07 9.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.408 1.068 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.577 ' CD1' ' CD1' ' A' ' 31' ' ' TRP . 13.2 mt -138.67 99.82 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.574 1.171 . . . . 0.0 109.227 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -114.18 117.31 55.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.588 1.18 . . . . 0.0 109.344 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.591 ' CD1' ' HB3' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -89.72 102.83 15.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.479 ' HB1' ' CZ ' ' A' ' 82' ' ' TYR . . . -80.88 120.21 24.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.95 95.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' ALA . 4.4 t70 -122.68 72.83 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.6 -29.26 7.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.113 . . . . 0.0 111.064 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.556 HG13 ' CD1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -99.83 -179.72 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.537 0.786 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -75.0 167.59 21.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -75.79 -67.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -45.45 -43.74 11.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.496 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 4.2 m -58.27 -38.71 77.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -86.08 -14.52 44.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -69.4 -36.71 77.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.7 -40.22 20.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.455 ' CD2' ' OG ' ' A' ' 71' ' ' SER . 1.5 mp -68.74 -26.72 65.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 18.0 m -75.54 155.85 35.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 72.0 m-70 -131.92 100.7 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.645 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -98.84 44.75 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.415 ' O ' ' ND2' ' A' ' 40' ' ' ASN . . . -100.23 -148.71 22.83 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.64 159.27 37.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 0.796 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.601 ' O ' ' CD1' ' A' ' 63' ' ' PHE . . . -135.78 151.77 50.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.396 1.06 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 62' ' ' ALA . 0.3 OUTLIER 162.05 -50.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 111.048 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.62 105.5 6.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.628 1.205 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.67 135.27 56.71 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 109.244 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 120.53 -21.56 8.55 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.576 1.172 . . . . 0.0 111.058 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -77.93 131.92 37.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 0.807 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 12.5 p -136.24 134.14 37.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.122 . . . . 0.0 109.987 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.565 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 17.4 m-85 -95.36 172.64 7.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.433 ' O ' ' NE2' ' A' ' 58' ' ' HIS . 4.1 m -133.21 152.71 51.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.436 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.455 ' OG ' ' CD2' ' A' ' 56' ' ' LEU . 25.7 t -139.88 141.87 36.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.943 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.511 ' CG2' ' CG2' ' A' ' 74' ' ' THR . 85.1 m -95.28 132.72 39.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.703 ' CD2' ' CD1' ' A' ' 23' ' ' ILE . 5.1 m-85 -123.51 35.16 4.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.511 ' CG2' ' CG2' ' A' ' 72' ' ' THR . 70.9 p -60.71 -71.08 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.417 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.419 ' N ' ' OG1' ' A' ' 74' ' ' THR . 38.4 tt0 -72.17 137.78 81.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.417 ' HD2' ' CG ' ' A' ' 75' ' ' GLU . 18.3 Cg_endo -74.99 114.8 4.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.453 1.765 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.98 -165.82 13.17 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.477 1.111 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.2 m -128.72 102.49 6.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.599 0.823 . . . . 0.0 110.38 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.591 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 82.3 m-85 -101.89 132.49 47.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.062 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.8 m -122.31 107.86 12.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.403 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.59 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 34.1 p90 -107.91 143.55 36.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.479 ' CZ ' ' HB1' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -143.69 174.95 10.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.454 ' SG ' ' ND1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER -78.67 121.66 24.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 108.258 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.485 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -47.66 -52.09 40.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -74.95 -49.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.462 1.769 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.442 ' ND1' ' SG ' ' A' ' 83' ' ' CYS . 0.1 OUTLIER -92.94 47.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.598 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 83' ' ' CYS . 2.7 ttt180 -59.77 -45.28 92.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -116.26 55.27 0.55 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.59 58.81 1.67 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.468 0.746 . . . . 0.0 109.37 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 41.93 34.16 1.31 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.431 1.082 . . . . 0.0 110.962 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.607 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -133.02 99.42 4.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 111.033 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 93' ' ' GLY . 19.4 t -146.07 158.67 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.409 ' N ' HG13 ' A' ' 92' ' ' VAL . . . -137.85 119.77 1.9 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.597 1.186 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.45 130.88 44.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.567 HG12 ' CZ ' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -117.01 145.4 22.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.7 t -143.73 119.14 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.651 ' CG2' ' CD2' ' A' ' 73' ' ' PHE . 45.9 t -95.47 143.28 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.473 ' HB1' ' CG2' ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.7 m -126.67 121.98 33.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.0 110.38 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.565 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 87.6 t -128.2 144.26 38.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.436 ' N ' HG13 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -119.9 132.74 55.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.585 1.178 . . . . 0.0 109.246 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.5 mtm -84.17 50.82 1.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 111.049 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.24 146.04 4.59 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.6 p -76.58 146.16 38.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 0.734 . . . . 0.0 110.023 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -74.49 62.35 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.7 t -157.56 -69.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.8 41.33 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.85 116.0 10.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 109.331 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.67 99.88 3.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.1 m -142.05 131.23 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.466 ' CD2' ' HE2' ' A' ' 91' ' ' MET . 6.4 m-85 -80.89 105.31 12.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 19.4 tt0 -140.49 134.49 15.29 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -75.03 132.9 29.11 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.97 -2.512 . . . . 0.0 110.965 0.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.434 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 9.3 p -57.45 -35.42 70.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.172 . . . . 0.0 109.998 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.0 m -124.38 123.78 40.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.3 m -127.64 140.79 48.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.8 m -128.84 111.07 12.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.464 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CG2' ' HB1' ' A' ' 3' ' ' ALA . 1.3 pp -119.18 -179.37 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -74.81 177.04 6.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.416 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . . . -97.7 89.04 4.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.242 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.34 -15.24 2.08 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -74.89 172.8 11.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 110.343 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -115.89 165.72 12.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.236 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.9 t -135.89 135.14 50.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -113.36 145.64 40.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.565 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 16.5 m-90 -121.19 117.48 27.21 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.81 143.33 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.11 155.82 36.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -149.57 -175.3 4.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.224 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -74.71 -177.98 3.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 35' ' ' LYS . 4.3 mm? 68.61 40.07 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.636 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -75.04 167.52 36.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.636 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.0 164.0 89.41 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.97 -0.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -133.96 100.5 4.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.649 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -100.98 178.11 4.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.369 1.043 . . . . 0.0 109.35 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.455 HD13 ' CG ' ' A' ' 31' ' ' TRP . 29.8 mt -139.52 99.91 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -117.26 112.42 38.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -87.51 105.86 17.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.567 ' HB2' ' CE2' ' A' ' 82' ' ' TYR . . . -81.26 104.89 12.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.31 97.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' ALA . 4.6 t0 -125.13 79.51 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.359 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.09 -31.6 6.64 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.555 HG11 ' CD2' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -96.33 -179.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 0.782 . . . . 0.0 109.323 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.58 172.39 12.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -84.71 -67.61 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -45.56 -41.23 9.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.511 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 1.6 m -62.16 -51.89 66.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.47 -12.68 61.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.175 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -63.99 -68.15 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.576 1.172 . . . . 0.0 109.389 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -54.49 -38.59 66.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.414 ' CD2' ' OG ' ' A' ' 71' ' ' SER . 0.6 OUTLIER -66.97 -34.2 77.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.162 . . . . 0.0 109.275 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.5 p -80.44 126.23 30.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.563 ' ND1' ' CD1' ' A' ' 69' ' ' PHE . 36.5 m-70 -94.33 179.61 5.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.592 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.87 -44.72 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.363 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -40.72 105.5 0.05 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.413 1.071 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 4.4 mm? -46.7 154.52 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.768 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.73 115.99 10.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 61' ' ' LEU . 10.1 m-85 -127.38 41.21 3.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -133.22 143.03 48.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.78 65.66 5.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 109.344 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 162.71 41.77 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -136.35 105.21 5.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 110.296 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 95.0 p -103.43 156.92 17.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.003 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.563 ' CD1' ' ND1' ' A' ' 58' ' ' HIS . 16.7 m-85 -107.49 177.93 4.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.7 m -141.15 148.08 39.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.162 . . . . 0.0 110.433 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.464 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 6.0 t -144.33 136.71 26.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.942 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 59.6 m -91.21 125.0 35.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.452 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.582 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.6 m-30 -105.89 47.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 111.071 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.46 -50.03 29.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.68 122.27 85.5 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 114.7 4.09 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.499 1.789 . . . . 0.0 110.943 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -162.62 -144.69 4.09 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 110.947 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.44 ' CG2' ' HE2' ' A' ' 94' ' ' LYS . 6.2 m -145.61 93.8 2.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 0.742 . . . . 0.0 110.378 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.586 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 77.0 m-85 -89.61 133.23 34.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 m -115.56 112.64 22.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.412 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.581 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 34.5 p90 -112.83 140.55 47.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -141.17 -179.77 6.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 84' ' ' GLU . 1.5 t -86.26 120.14 27.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 108.313 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.462 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.4 OUTLIER -38.92 -53.74 3.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.265 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.0 Cg_endo -75.07 -46.69 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.423 1.749 . . . . 0.0 110.927 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.53 59.04 1.78 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.625 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.459 ' HG3' ' CG ' ' A' ' 82' ' ' TYR . 20.6 ttp180 -85.46 -62.05 1.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.587 1.18 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.62 55.17 0.83 Allowed Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.588 1.18 . . . . 0.0 110.934 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -125.57 -45.1 1.8 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 0.781 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 163.42 -28.78 0.24 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.528 1.142 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.466 ' HE2' ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -76.94 99.35 5.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 0.732 . . . . 0.0 111.024 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 30.2 t -145.86 169.09 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -142.76 165.46 26.85 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.44 ' HE2' ' CG2' ' A' ' 78' ' ' THR . 0.0 OUTLIER -144.4 112.03 6.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.304 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.564 HG12 ' CE2' ' A' ' 73' ' ' PHE . 1.6 t -91.14 154.95 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 38.1 t -144.9 108.64 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.582 HG22 ' CD2' ' A' ' 73' ' ' PHE . 41.9 t -97.19 137.87 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.26 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.514 ' CB ' ' CG2' ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.1 m -143.87 115.95 8.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.425 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.525 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 54.5 t -108.52 150.81 10.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.48 130.79 56.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.49 ' O ' ' CE ' ' A' ' 91' ' ' MET . 8.9 mtm -57.89 -52.72 64.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.15 148.17 18.57 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.106 . . . . 0.0 111.046 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.3 p -71.92 152.4 42.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.38 62.38 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.43 -58.45 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.02 45.0 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.428 1.08 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.97 125.31 13.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 0.745 . . . . 0.0 109.265 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.474 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -76.47 101.12 5.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.1 m -144.27 132.25 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.594 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 34.4 m-85 -81.62 101.79 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.052 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.479 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -135.55 132.08 19.6 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.588 1.18 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.6 Cg_endo -75.0 131.57 24.66 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.025 -0.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.443 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 11.1 p -52.73 -36.56 57.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.964 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.1 m -126.36 121.84 33.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.416 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.428 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -123.89 140.04 48.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.5 m -122.63 109.84 14.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.386 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.514 ' CG2' ' CB ' ' A' ' 3' ' ' ALA . 1.4 pt -118.15 -179.58 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -78.31 178.04 7.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.456 ' CB ' ' C ' ' A' ' 98' ' ' ASP . . . -99.28 120.9 40.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.96 -19.7 15.24 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.539 1.15 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.21 179.63 5.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.264 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.46 172.2 10.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.9 t -134.25 147.91 30.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -121.68 138.85 54.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.57 ' CZ3' ' HB2' ' A' ' 71' ' ' SER . 3.5 m-90 -108.7 151.8 25.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 108.023 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.6 t -135.31 139.33 47.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -96.62 140.06 31.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.231 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -123.77 -70.72 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -143.6 179.88 6.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.351 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.474 ' HG ' ' CD2' ' A' ' 14' ' ' LEU . 3.9 mm? 64.34 55.55 1.41 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.495 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -98.19 161.34 25.76 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.495 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.09 163.29 91.01 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.973 0.104 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.494 ' CE1' ' SG ' ' A' ' 83' ' ' CYS . 0.3 OUTLIER -134.96 112.88 10.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.634 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.63 158.46 18.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 58' ' ' HIS . 1.8 mp -122.62 111.68 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.23 122.13 67.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.593 ' CE2' ' CG ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -82.51 93.13 7.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.29 107.01 7.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.252 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.39 98.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -118.51 60.91 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.94 -13.45 8.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.418 1.074 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.602 HG12 ' CD1' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -103.47 -179.71 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.267 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -76.16 165.34 25.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 51' ' ' ASP . . . -77.47 -69.35 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 10.1 m-20 -40.09 -48.13 2.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.489 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 98.8 m -49.0 -69.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.356 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -52.06 -21.47 3.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 51' ' ' ASP . . . -66.34 -29.92 70.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.18 -28.91 20.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.585 ' HB3' ' CE2' ' A' ' 43' ' ' PHE . 2.6 mp -92.88 0.79 57.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.5 m -89.38 143.4 26.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.075 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 41' ' ' ILE . 41.8 m-70 -132.65 99.06 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 109.612 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -97.05 29.81 2.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -86.66 -148.72 12.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.478 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 5.7 mp -152.57 154.01 34.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 0.734 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -137.25 131.78 32.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.478 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 2.8 m-85 -129.17 -42.18 1.38 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.399 1.062 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.68 153.59 19.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.04 42.65 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.349 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -130.15 -40.44 0.26 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.458 1.098 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -74.36 126.63 31.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.751 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 3.6 m -134.1 142.19 47.43 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.14 . . . . 0.0 110.036 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -96.46 173.58 7.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.3 m -140.17 153.98 46.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.349 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 31' ' ' TRP . 5.3 t -133.36 154.08 51.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.013 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.472 ' O ' ' CD2' ' A' ' 56' ' ' LEU . 53.2 m -106.33 102.61 12.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.406 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.547 ' CZ ' HG11 ' A' ' 95' ' ' VAL . 4.7 m-30 -94.27 69.04 3.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.427 HG22 ' CG2' ' A' ' 72' ' ' THR . 40.7 p -88.44 -67.87 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.4 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.33 123.13 77.3 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 101.2 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.456 1.766 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.8 -138.53 2.62 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.2 m -143.27 129.89 20.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 110.401 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.602 ' CD1' HG12 ' A' ' 48' ' ' VAL . 96.7 m-85 -126.12 98.05 5.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.3 m -77.82 100.94 6.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.434 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.426 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 25.7 p90 -109.03 129.23 55.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -128.94 -179.87 5.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 1.021 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 1.7 m -77.46 126.13 30.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 108.312 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.502 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -52.75 -51.93 69.25 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -74.98 -50.91 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.579 1.831 . . . . 0.0 111.01 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -85.84 48.82 1.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.636 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.92 5.05 38.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 110.258 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -153.62 51.49 0.48 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.568 1.168 . . . . 0.0 111.006 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.18 -47.03 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.753 . . . . 0.0 109.231 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 146.4 45.11 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.123 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 1.021 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER -138.02 99.02 3.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.784 . . . . 0.0 110.989 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.46 ' CG2' ' N ' ' A' ' 93' ' ' GLY . 2.4 p -146.07 166.17 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.46 ' N ' ' CG2' ' A' ' 92' ' ' VAL . . . -139.8 154.05 23.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.14 104.93 8.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 0.776 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.547 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 55.4 t -85.0 145.11 8.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.3 t -139.35 101.57 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.425 1.078 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.412 HG22 ' CD2' ' A' ' 73' ' ' PHE . 91.8 t -93.87 141.47 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.247 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.456 ' C ' ' CB ' ' A' ' 25' ' ' ALA . 30.2 m-20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.469 ' CB ' HG23 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 90.6 m -112.21 133.74 54.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 110.409 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.2 t -144.68 99.65 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.224 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -83.33 146.65 28.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -72.64 -165.48 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 111.042 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.456 ' HA3' ' CD1' ' A' ' 36' ' ' LEU . . . -34.72 131.61 0.53 Allowed Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.1 p -47.93 144.07 3.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.421 0.718 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -76.95 57.27 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.45 -71.62 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.003 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.29 38.34 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.562 1.164 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.99 114.77 7.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 0.748 . . . . 0.0 109.347 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.464 HD12 ' CB ' ' A' ' 91' ' ' MET . 0.5 OUTLIER -83.59 99.17 10.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.2 m -145.35 141.97 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.363 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.566 ' CE2' ' HG2' ' A' ' 91' ' ' MET . 72.1 m-85 -88.77 126.94 35.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 111.059 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.48 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 26.3 tt0 -141.06 131.27 13.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.48 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.6 Cg_endo -74.86 132.99 29.35 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.067 -0.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.432 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 39.3 t -42.51 -35.91 1.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.946 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.2 m -136.73 128.34 28.72 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -124.92 143.57 38.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.7 m -122.49 108.03 12.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.416 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.411 HD13 ' CB ' ' A' ' 73' ' ' PHE . 1.3 pt -116.99 -179.72 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -77.42 177.36 8.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.453 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . . . -100.65 98.57 9.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.65 -22.58 2.68 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.6 179.73 5.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 0.801 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.12 176.24 6.51 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.621 ' CG2' ' CE2' ' A' ' 73' ' ' PHE . 3.1 t -130.54 157.25 42.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.49 141.73 51.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.477 ' CD2' ' CE1' ' A' ' 58' ' ' HIS . 9.3 m-90 -111.96 159.36 18.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 107.973 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.9 t -139.22 111.98 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.578 1.174 . . . . 0.0 109.259 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -77.65 140.22 39.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -126.95 -87.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.3 mmtm -135.56 -179.18 5.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 109.35 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.563 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.6 OUTLIER 75.29 69.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.541 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -121.61 163.25 31.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.974 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.541 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.99 139.88 64.24 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.962 -2.516 . . . . 0.0 111.019 -0.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.563 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 1.6 m-70 -140.12 102.96 4.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.635 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.3 -179.96 4.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.567 HD12 ' CE1' ' A' ' 58' ' ' HIS . 5.0 mt -121.04 115.4 46.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -124.36 125.4 70.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.607 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -96.54 101.51 13.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.951 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.57 ' HB1' ' CE2' ' A' ' 82' ' ' TYR . . . -78.9 107.36 11.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.86 96.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.4 m-20 -120.55 75.58 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.36 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.43 -27.09 9.67 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.57 HG11 ' CD2' ' A' ' 79' ' ' TYR . 1.0 OUTLIER -100.01 175.67 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 109.347 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.42 147.52 37.91 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.465 1.103 . . . . 0.0 109.229 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -64.0 -51.76 62.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.354 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.29 -55.21 6.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.494 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 17.8 m -58.99 -53.97 52.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.435 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.39 -21.05 33.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -67.49 -70.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -58.02 -29.99 65.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.37 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 72' ' ' THR . 0.7 OUTLIER -68.59 -31.65 70.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.355 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.4 p -74.54 147.84 41.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.06 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.567 ' CE1' HD12 ' A' ' 41' ' ' ILE . 5.6 p80 -145.15 99.89 3.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.642 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 60' ' ' GLY . 11.0 mttt -70.06 -82.29 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.367 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.425 ' HA3' ' CZ ' ' A' ' 69' ' ' PHE . . . 47.94 98.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.462 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 4.2 mm? -47.18 142.54 3.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 0.806 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -109.26 106.67 16.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.462 ' CE2' ' HB3' ' A' ' 61' ' ' LEU . 21.7 m-85 -131.52 -44.94 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 111.055 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.79 146.87 24.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.075 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.44 128.3 34.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.19 15.21 10.0 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.58 103.72 15.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 0.791 . . . . 0.0 110.251 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 67.2 m -106.22 135.26 48.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.425 ' CZ ' ' HA3' ' A' ' 60' ' ' GLY . 17.9 m-85 -109.44 175.89 5.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 110.97 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.5 m -144.88 157.57 44.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.398 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.4 t -144.99 155.0 43.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.975 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.507 ' O ' ' CD2' ' A' ' 56' ' ' LEU . 2.5 m -105.91 109.95 22.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.621 ' CE2' ' CG2' ' A' ' 29' ' ' VAL . 6.8 m-30 -95.95 46.55 1.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.4 m -68.48 -64.67 0.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -61.2 123.21 74.83 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 125.45 9.32 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.527 1.804 . . . . 0.0 111.072 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 179.14 -142.73 5.44 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.2 m -144.02 108.64 4.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 0.797 . . . . 0.0 110.378 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.607 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 85.8 m-85 -105.61 135.2 47.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.1 m -110.66 115.58 29.84 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.565 1.166 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.607 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 33.9 p90 -114.94 137.49 51.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.57 ' CE2' ' HB1' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -145.51 -179.75 6.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.525 ' SG ' ' CE1' ' A' ' 39' ' ' HIS . 1.0 OUTLIER -95.69 116.38 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 108.366 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.478 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -37.08 -56.46 1.48 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.563 ' O ' ' CG ' ' A' ' 86' ' ' HIS . 18.1 Cg_endo -75.04 52.68 3.14 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.605 1.845 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.563 ' CG ' ' O ' ' A' ' 85' ' ' PRO . 1.4 m80 165.63 42.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 0.0 109.585 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.478 ' O ' ' CG ' ' A' ' 87' ' ' ARG . 19.0 ptt180 -90.69 121.1 32.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.43 28.44 55.52 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -106.3 -36.55 6.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.392 0.701 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 151.04 -36.61 0.88 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.566 ' HG2' ' CE2' ' A' ' 16' ' ' PHE . 0.8 OUTLIER -77.6 98.66 5.48 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.524 0.779 . . . . 0.0 110.991 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.438 ' C ' ' CD2' ' A' ' 16' ' ' PHE . 52.6 t -146.79 169.52 4.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.417 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -127.32 167.51 19.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.1 117.06 9.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 0.722 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.549 HG22 ' CZ ' ' A' ' 73' ' ' PHE . 37.9 t -96.72 146.38 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.2 t -141.2 104.18 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' A' ' 25' ' ' ALA . 15.8 t -107.63 140.59 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.1 t0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.485 ' CB ' HG21 ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.5 m -90.93 141.15 29.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.394 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.3 t -145.35 128.7 11.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.599 1.187 . . . . 0.0 109.225 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.93 143.17 49.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.413 1.07 . . . . 0.0 109.239 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.7 mtm -94.58 -90.5 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.441 ' O ' ' ND2' ' A' ' 34' ' ' ASN . . . -59.15 98.19 0.1 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 m -47.64 160.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 0.784 . . . . 0.0 109.994 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.95 66.38 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.11 -61.22 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.2 44.58 0.04 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.55 1.156 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.15 130.22 18.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.388 0.699 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -75.23 111.28 10.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.3 m -143.52 -179.95 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.574 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 43.6 m-85 -128.29 111.53 13.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.601 1.188 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.477 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.9 tt0 -145.01 130.14 9.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -74.97 132.2 26.77 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.955 -2.519 . . . . 0.0 111.067 -0.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.43 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 95.5 p -57.34 -27.33 62.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 110.004 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -134.38 120.54 19.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -121.12 142.01 39.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.522 1.138 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.3 m -132.88 100.21 4.84 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.498 1.124 . . . . 0.0 110.467 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.485 HG21 ' CB ' ' A' ' 3' ' ' ALA . 5.0 pt -112.82 -179.76 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -75.32 174.24 9.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.28 126.33 36.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.9 -22.87 18.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.422 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 0.7 OUTLIER -74.9 -179.92 4.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 0.763 . . . . 0.0 110.266 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.404 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 7.3 pm0 -128.11 178.87 5.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.27 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.482 HG23 ' CE2' ' A' ' 73' ' ' PHE . 3.5 t -138.89 138.64 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.399 1.062 . . . . 0.0 109.366 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.92 131.94 56.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.463 ' O ' ' CB ' ' A' ' 68' ' ' SER . 12.1 m-90 -93.79 163.32 13.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 108.007 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.8 t -142.08 101.1 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 109.285 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -80.13 150.58 30.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.138 . . . . 0.0 109.355 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 8' ' ' GLY . 15.8 m-20 -124.87 -80.83 0.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.581 1.176 . . . . 0.0 109.282 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -129.69 -179.51 5.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.607 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 2.7 mp 71.01 50.96 0.3 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.544 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -95.46 163.39 21.64 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.17 . . . . 0.0 109.983 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.562 ' HG3' ' CZ ' ' A' ' 63' ' ' PHE . 18.2 Cg_endo -75.03 157.04 99.83 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.928 -2.53 . . . . 0.0 111.03 0.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.607 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 1.4 m-70 -124.2 110.54 14.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.597 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -100.55 171.43 7.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 98.0 mt -143.55 99.06 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -108.82 122.71 63.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.613 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -94.75 102.88 14.78 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 111.043 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.569 ' HB1' ' CE2' ' A' ' 82' ' ' TYR . . . -78.54 130.69 36.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.361 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.84 100.49 0.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 109.336 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -132.77 55.57 1.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 134.54 -11.81 4.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.539 HG12 ' CD2' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -121.46 -179.74 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 0.0 109.252 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -75.79 168.57 19.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' ALA . . . -81.3 -64.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -45.43 -43.59 11.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.508 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -66.17 -34.62 78.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -79.52 -19.8 48.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -72.84 -45.28 59.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -43.0 87.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.513 ' CD1' ' O ' ' A' ' 72' ' ' THR . 4.4 mp -73.23 -24.92 60.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 3.6 m -75.87 151.55 37.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.064 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.496 ' CE1' ' O ' ' A' ' 70' ' ' THR . 55.8 m-70 -126.86 99.83 5.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.587 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -97.63 40.46 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -119.82 152.3 17.13 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 111.031 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -88.52 158.05 18.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 0.713 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.84 107.92 6.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.562 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 6.2 m-85 -119.14 46.19 1.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.12 122.66 15.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.588 1.18 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.2 113.77 3.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.4 26.43 5.67 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.566 1.166 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -76.4 141.85 41.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 0.755 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 4.1 p -145.11 122.6 11.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.944 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -96.69 176.11 6.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.068 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.496 ' O ' ' CE1' ' A' ' 58' ' ' HIS . 1.5 m -134.49 142.75 47.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.382 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.3 t -134.43 135.77 42.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.513 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 5.5 m -85.65 115.13 23.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.412 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.57 ' CE2' HG12 ' A' ' 95' ' ' VAL . 4.2 m-30 -102.22 61.96 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.954 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.2 p -87.17 -70.07 0.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.387 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.48 120.81 43.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.177 . . . . 0.0 110.326 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 100.02 1.32 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.541 1.811 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.77 -147.2 4.49 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.586 1.179 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.7 m -139.99 105.04 4.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 110.459 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.613 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 94.8 m-85 -98.63 145.0 27.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.9 p -125.53 111.35 14.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.432 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.574 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 34.7 p90 -112.01 139.44 47.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.569 ' CE2' ' HB1' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -138.58 179.49 6.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.481 ' SG ' ' CE1' ' A' ' 39' ' ' HIS . 0.1 OUTLIER -80.9 130.23 34.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 108.321 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.516 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -56.97 -50.72 86.56 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 110.388 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -75.0 -52.32 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.49 1.784 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.45 ' ND1' ' SG ' ' A' ' 83' ' ' CYS . 0.1 OUTLIER -87.79 44.75 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.609 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -64.38 -58.29 6.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -104.2 63.66 0.36 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -131.94 -46.34 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.283 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.38 45.68 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.574 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -143.08 98.99 3.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 0.805 . . . . 0.0 110.995 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.8 t -146.08 150.84 14.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -128.03 157.33 21.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.43 157.98 26.18 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.51 0.771 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.57 HG12 ' CE2' ' A' ' 73' ' ' PHE . 75.3 t -140.72 147.04 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.9 t -145.21 103.8 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 62.8 t -95.28 140.16 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.451 ' CB ' HG21 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.1 m -76.09 129.34 36.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.16 . . . . 0.0 110.417 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.5 t -144.67 100.0 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.25 115.42 18.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.501 ' O ' ' CE ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -64.91 -28.65 69.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.163 . . . . 0.0 110.982 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.418 ' N ' ' HG2' ' A' ' 7' ' ' MET . . . -131.5 133.62 7.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.7 t -44.01 167.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 0.74 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.54 68.35 1.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.5 t 67.15 99.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.005 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.87 -67.53 0.16 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.09 167.33 22.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 0.774 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.93 101.31 12.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.1 m -144.48 140.35 24.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.08 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.596 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 59.2 m-85 -79.79 118.84 21.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.451 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 17.0 tt0 -145.2 129.13 8.69 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 110.282 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.05 132.4 27.45 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.006 -2.497 . . . . 0.0 110.984 0.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.426 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 92.7 p -53.87 -33.26 55.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.085 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 m -126.35 117.51 23.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 110.362 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -121.64 140.79 44.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 m -133.34 100.75 4.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.376 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.476 HD11 ' CB ' ' A' ' 73' ' ' PHE . 1.5 pt -108.48 -178.75 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.05 176.58 6.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.41 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . . . -96.7 118.45 33.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.19 -26.8 6.93 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -75.92 178.77 5.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 0.723 . . . . 0.0 110.293 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.44 172.85 9.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.563 HG22 ' CE2' ' A' ' 73' ' ' PHE . 2.5 t -129.87 143.83 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.92 158.35 17.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.498 ' O ' ' CB ' ' A' ' 68' ' ' SER . 7.5 m-90 -127.76 105.92 8.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.013 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 82.9 t -81.06 111.76 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -79.0 110.47 14.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -95.91 -84.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.404 ' C ' ' CD2' ' A' ' 36' ' ' LEU . 14.9 mmtt -135.44 178.51 6.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.541 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.3 OUTLIER 75.02 29.95 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.52 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -85.27 162.7 47.97 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.582 1.176 . . . . 0.0 110.017 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.581 ' HG3' ' CZ ' ' A' ' 63' ' ' PHE . 18.1 Cg_endo -75.04 156.97 99.85 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.941 -2.525 . . . . 0.0 111.003 -0.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 2.2 m-70 -129.23 112.82 14.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.602 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -98.46 161.83 13.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.56 ' HB ' ' CE1' ' A' ' 58' ' ' HIS . 3.6 mp -126.22 101.37 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.24 108.53 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.605 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -86.3 102.1 13.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -79.96 103.66 10.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.411 1.07 . . . . 0.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 44' ' ' ALA . . . -39.94 97.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -123.89 75.81 1.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.83 -32.04 6.02 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.563 HG11 ' CD2' ' A' ' 79' ' ' TYR . 2.2 p -96.09 -179.83 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.96 143.97 41.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.238 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -63.03 -55.68 23.53 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -44.45 -48.77 9.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.474 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 24.1 m -57.82 -59.06 5.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.74 -15.89 34.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.402 1.064 . . . . 0.0 109.347 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -64.26 -59.54 4.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -37.45 66.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.03 -24.68 55.55 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.13 . . . . 0.0 109.25 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 80.4 p -87.5 131.89 34.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.56 ' CE1' ' HB ' ' A' ' 41' ' ' ILE . 3.2 p80 -130.71 101.69 5.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 109.622 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -74.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 45.97 -154.7 0.65 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.461 ' HG ' ' CB ' ' A' ' 38' ' ' PRO . 3.4 tp -179.0 93.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.562 0.801 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.51 142.86 27.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.581 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 10.7 m-85 -131.1 21.98 4.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -135.72 139.08 43.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.26 77.11 10.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.238 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -171.2 -39.19 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 111.037 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -74.64 144.53 43.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 0.723 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 12.8 p -138.84 133.24 31.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.967 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.518 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 12.1 m-85 -76.13 174.42 10.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.1 m -145.35 155.43 43.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.0 t -144.93 146.48 32.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.939 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.0 m -88.14 112.66 22.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 0.0 110.369 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.563 ' CE2' HG22 ' A' ' 29' ' ' VAL . 4.6 m-30 -103.0 46.81 0.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 111.056 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.0 p -75.5 -70.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.12 119.8 12.91 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 100.64 1.38 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.415 1.745 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.71 -142.31 3.42 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.111 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.0 t -145.18 110.95 5.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 110.416 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.605 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 87.0 m-85 -107.46 138.56 43.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.6 m -115.11 115.41 26.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.414 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.585 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 28.0 p90 -118.39 133.28 56.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.491 ' CZ ' ' HB2' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -140.3 -179.46 6.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.963 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.513 ' SG ' ' CE1' ' A' ' 39' ' ' HIS . 0.1 OUTLIER -79.45 138.93 37.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 108.341 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.523 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -65.05 -50.45 61.64 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -74.97 -49.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.83 45.04 1.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.595 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.69 -1.31 55.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -145.11 50.84 0.63 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -135.95 -46.9 0.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 146.22 47.82 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.466 1.104 . . . . 0.0 111.026 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.596 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -138.28 99.62 3.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 0.793 . . . . 0.0 111.081 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.4 t -145.71 169.36 6.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -146.84 138.21 7.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -110.67 134.14 52.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.375 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 70.5 t -114.12 147.23 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.289 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.3 t -144.92 100.09 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.595 1.184 . . . . 0.0 109.247 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.42 ' CG1' ' O ' ' A' ' 73' ' ' PHE . 42.0 t -92.0 138.2 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.443 ' CB ' ' CG2' ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.3 m -91.63 134.86 34.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.8 t -144.5 109.02 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.43 141.01 35.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.239 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -89.5 29.0 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.4 -141.03 3.22 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.462 1.101 . . . . 0.0 111.062 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.423 ' OG ' ' CG2' ' A' ' 15' ' ' VAL . 53.5 m -155.34 142.08 18.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 0.776 . . . . 0.0 110.002 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -74.51 58.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 t -153.62 -70.73 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.08 . . . . 0.0 109.966 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.59 42.46 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.559 1.162 . . . . 0.0 110.96 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.1 128.86 17.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 0.744 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.467 ' CA ' HD11 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -80.86 100.13 8.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.416 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.423 ' CG2' ' OG ' ' A' ' 9' ' ' SER . 26.8 m -145.06 138.98 22.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.598 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 40.7 m-85 -82.87 112.3 19.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.474 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 7.0 tt0 -144.11 131.86 10.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.271 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.95 132.06 26.26 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.003 -0.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.441 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 35.6 p -55.63 -36.12 66.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 m -122.85 128.12 49.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.364 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.2 m -134.05 143.57 37.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.6 m -129.01 111.0 12.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.409 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.468 HD11 ' CB ' ' A' ' 73' ' ' PHE . 1.7 pt -116.16 -179.49 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -74.49 173.33 10.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.409 ' CB ' ' C ' ' A' ' 98' ' ' ASP . . . -99.31 105.46 17.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.435 1.084 . . . . 0.0 109.245 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 129.24 -6.19 6.34 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.422 1.076 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.53 -179.7 5.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 0.777 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.468 ' N ' ' CD ' ' A' ' 28' ' ' GLU . 6.4 mp0 -116.99 -179.96 3.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 110.349 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.579 HG12 ' CZ3' ' A' ' 31' ' ' TRP . 9.5 t -139.33 150.7 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -117.18 156.35 27.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.579 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 5.8 m-90 -135.58 102.39 5.1 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 82.2 t -87.38 145.77 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -109.61 150.5 28.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -128.09 -79.16 0.58 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.223 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -140.33 175.0 9.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.593 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.3 OUTLIER 78.53 52.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.506 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -98.93 162.01 22.96 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.008 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.506 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.04 160.97 95.75 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 120.94 -2.525 . . . . 0.0 111.025 -0.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -138.83 122.81 17.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.653 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.455 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -109.92 -179.63 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.342 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.564 HD11 ' CD1' ' A' ' 31' ' ' TRP . 43.2 mt -141.6 103.48 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.48 133.28 52.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 3.0 m-85 -104.88 106.52 17.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.63 111.31 19.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.181 . . . . 0.0 109.293 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.12 96.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -122.7 77.28 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.36 -27.55 8.87 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.574 HG11 ' CE1' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -96.17 177.64 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.33 128.46 34.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.1 -62.14 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.321 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -45.58 -62.62 1.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.522 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 2.0 m -42.6 -62.36 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.382 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -56.71 -26.71 57.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 51' ' ' ASP . . . -62.67 -42.83 99.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -16.26 61.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.582 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -105.4 0.4 26.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.554 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -87.71 111.5 21.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 110.06 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.807 ' CE1' ' CD1' ' A' ' 69' ' ' PHE . 5.1 m-70 -87.69 170.54 11.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.598 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.46 60.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -106.06 171.94 18.37 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.453 1.096 . . . . 0.0 111.052 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.539 ' O ' ' CZ ' ' A' ' 63' ' ' PHE . 3.6 mm? -121.44 75.05 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.421 0.718 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.5 145.61 36.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.539 ' CZ ' ' O ' ' A' ' 61' ' ' LEU . 4.7 m-85 -135.14 -44.03 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.83 128.69 35.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.3 86.02 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.89 -35.56 0.08 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -75.19 126.29 30.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 0.748 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.7 m -125.3 144.72 50.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.032 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.807 ' CD1' ' CE1' ' A' ' 58' ' ' HIS . 1.6 m-85 -92.33 168.99 10.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.468 ' O ' ' NE2' ' A' ' 58' ' ' HIS . 95.1 m -140.57 157.96 44.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.359 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.414 ' OG ' ' CE1' ' A' ' 73' ' ' PHE . 2.0 p -143.96 173.5 11.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 109.954 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.45 ' O ' ' CD2' ' A' ' 56' ' ' LEU . 3.3 m -116.87 117.6 30.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.416 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.576 ' CZ ' HG12 ' A' ' 95' ' ' VAL . 4.9 m-30 -105.72 65.08 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.6 p -87.75 -51.61 5.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.398 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.23 120.25 78.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 106.88 2.36 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.803 . . . . 0.0 111.052 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -169.2 -151.21 7.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.4 m -126.25 137.57 53.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 110.37 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.574 ' CE1' HG11 ' A' ' 48' ' ' VAL . 88.3 m-85 -129.62 98.65 4.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 54.9 m -80.94 105.98 12.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.444 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.567 ' CD1' ' O ' ' A' ' 93' ' ' GLY . 20.4 p90 -117.38 118.81 33.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.582 1.176 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.452 ' HB3' ' CG1' ' A' ' 92' ' ' VAL . 0.4 OUTLIER -117.55 -179.37 3.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.404 ' SG ' ' CE1' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -84.12 127.47 33.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 108.328 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.499 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -53.81 -51.8 73.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -75.02 -52.75 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -89.02 44.26 1.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.397 1.06 . . . . 0.0 109.619 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -64.67 -58.06 7.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.27 65.83 0.24 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.22 -48.5 0.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 0.732 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 151.13 43.89 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -145.3 99.31 3.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.764 . . . . 0.0 110.966 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.452 ' CG1' ' HB3' ' A' ' 82' ' ' TYR . 3.4 t -145.76 157.27 12.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.567 ' O ' ' CD1' ' A' ' 81' ' ' TYR . . . -139.79 123.96 2.6 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.552 1.158 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.91 109.48 22.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.576 HG12 ' CZ ' ' A' ' 73' ' ' PHE . 2.2 t -86.97 147.53 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.407 1.067 . . . . 0.0 109.362 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.4 t -140.27 136.66 37.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.558 1.162 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.544 HG21 ' CD2' ' A' ' 73' ' ' PHE . 97.8 t -123.07 139.64 49.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.229 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' C ' ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.482 ' HB1' ' CG2' ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.4 m -143.31 141.72 31.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.49 ' CG1' ' OH ' ' A' ' 81' ' ' TYR . 48.3 t -136.06 119.62 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.361 1.038 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -92.98 129.23 38.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 0.0 109.389 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.414 ' CE ' ' HA ' ' A' ' 33' ' ' ASN . 16.4 mtm -44.53 -73.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.3 -158.87 34.99 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.441 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -120.13 152.18 38.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 0.727 . . . . 0.0 110.01 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.71 66.17 1.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -154.68 -80.83 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.39 1.056 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.8 39.29 0.03 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.33 152.38 39.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.409 0.711 . . . . 0.0 109.338 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.42 99.69 12.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.441 ' CG2' ' HB2' ' A' ' 9' ' ' SER . 29.4 m -143.26 135.47 24.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.569 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 39.3 m-85 -90.03 115.13 27.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.475 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 11.0 tt0 -143.76 134.46 12.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.327 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.475 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -74.95 133.9 33.47 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.996 -0.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.421 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 89.5 p -55.64 -30.61 61.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.954 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 m -133.24 136.84 45.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.369 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.435 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -139.6 152.15 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.6 m -139.85 114.9 9.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 110.434 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.482 ' CG2' ' HB1' ' A' ' 3' ' ' ALA . 1.0 OUTLIER -124.49 -178.98 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -74.23 173.62 9.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.68 113.58 25.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.18 -22.85 6.62 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.12 179.58 4.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 0.762 . . . . 0.0 110.267 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.413 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 22.1 pm0 -123.75 170.13 10.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.515 HG23 ' CE2' ' A' ' 73' ' ' PHE . 44.4 t -136.53 132.03 48.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -98.75 162.42 13.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.441 ' CH2' ' HB3' ' A' ' 71' ' ' SER . 3.5 m-90 -125.97 172.72 9.7 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.4 t -143.59 140.22 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.414 ' HA ' ' CE ' ' A' ' 7' ' ' MET . 0.3 OUTLIER -77.61 140.85 39.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 9' ' ' SER . 4.4 t-20 -135.02 -179.53 5.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -74.76 -178.84 3.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.618 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 1.1 mm? 69.13 67.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.51 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -99.09 162.2 22.22 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.989 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.51 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.01 163.21 91.24 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.019 -2.492 . . . . 0.0 111.011 0.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.618 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -141.62 99.66 3.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.482 1.114 . . . . 0.0 109.663 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -99.43 174.1 6.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.424 ' CD1' ' CD1' ' A' ' 31' ' ' TRP . 96.5 mt -144.85 99.15 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 109.251 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.2 p -127.33 115.57 40.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.662 ' CD1' ' HB3' ' A' ' 79' ' ' TYR . 10.3 m-85 -71.74 143.71 49.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.565 ' HB1' ' CE2' ' A' ' 82' ' ' TYR . . . -110.13 106.76 16.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.49 96.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.4 m-20 -125.89 70.95 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.168 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.64 -10.6 27.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.573 HG11 ' CE1' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -110.8 -178.69 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.579 0.811 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.58 172.64 11.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.94 -63.51 1.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.64 -27.04 36.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.234 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.47 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 75.8 m -73.8 -51.31 16.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.597 1.186 . . . . 0.0 110.449 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.01 -11.5 60.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.1 -56.54 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -65.59 -27.82 68.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.477 ' CD1' ' O ' ' A' ' 72' ' ' THR . 0.5 OUTLIER -76.52 -25.79 54.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.6 p -86.36 158.55 19.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.062 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.551 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 76.4 m-70 -123.19 141.22 52.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.123 . . . . 0.0 109.595 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -122.03 56.18 1.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -124.53 -150.94 7.98 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.558 1.161 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.1 mp -138.77 -177.55 4.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 0.725 . . . . 0.0 109.32 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.08 98.57 3.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -129.28 -52.1 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.63 115.8 15.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.62 98.11 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 152.68 -21.55 0.81 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 111.06 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -74.88 122.79 23.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 0.746 . . . . 0.0 110.343 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.7 m -125.79 159.59 31.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.963 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.551 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 19.1 m-30 -122.13 167.02 13.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.409 1.068 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.429 ' O ' ' NE2' ' A' ' 58' ' ' HIS . 2.4 m -140.28 150.32 43.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.368 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.441 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 2.8 t -139.97 131.64 27.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.977 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.477 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 7.2 m -76.14 116.63 17.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.549 ' CZ ' HG12 ' A' ' 95' ' ' VAL . 4.6 m-30 -98.17 49.43 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.9 m -74.6 -70.12 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.414 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -53.17 118.51 14.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.271 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 100.31 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 0.0 111.04 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -158.81 -143.55 3.69 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.473 1.108 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 46' ' ' ASP . 6.1 t -132.51 140.02 48.16 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.445 0.732 . . . . 0.0 110.376 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.662 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 90.9 m-85 -138.67 120.83 15.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 80' ' ' THR . 0.7 OUTLIER -108.7 113.14 25.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.432 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.595 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 31.2 p90 -108.27 139.79 42.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.565 ' CE2' ' HB1' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -145.15 -179.75 6.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 111.018 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 87' ' ' ARG . 0.6 OUTLIER -81.89 113.09 19.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 108.257 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.533 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -43.27 -49.81 15.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.99 -43.41 0.4 Allowed 'Trans proline' 0 C--N 1.362 1.241 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.449 ' N ' ' CD2' ' A' ' 86' ' ' HIS . 0.2 OUTLIER -99.04 48.29 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.621 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 83' ' ' CYS . 9.6 ptt180 -84.71 1.84 44.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.52 1.137 . . . . 0.0 110.279 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -150.46 64.54 0.39 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.462 1.101 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -145.11 -46.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.238 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 146.63 44.25 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.569 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -145.28 98.96 3.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.77 . . . . 0.0 111.014 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.508 ' CG2' ' N ' ' A' ' 93' ' ' GLY . 0.2 OUTLIER -146.76 164.35 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.533 ' HA3' ' CE1' ' A' ' 81' ' ' TYR . . . -140.96 154.7 24.59 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -120.08 159.08 25.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 0.735 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.549 HG12 ' CZ ' ' A' ' 73' ' ' PHE . 7.2 t -141.34 145.77 24.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.423 1.077 . . . . 0.0 109.358 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.0 t -139.05 119.33 14.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.432 ' CG2' ' HB3' ' A' ' 73' ' ' PHE . 78.3 t -110.17 129.93 64.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.939 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.422 ' HB1' ' CG2' ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 84.6 m -143.97 104.28 4.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.367 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.563 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 85.9 t -103.9 152.84 6.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.403 ' N ' HG13 ' A' ' 5' ' ' VAL . 1.7 pttm -127.75 117.53 22.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.365 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.544 ' HB3' ' CD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -75.3 119.09 18.95 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.26 107.87 0.05 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.2 p -45.01 153.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.749 . . . . 0.0 110.028 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -75.19 58.9 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.249 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 t -145.02 -66.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.0 43.11 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.72 136.48 25.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 0.797 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.43 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -88.25 100.38 12.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 m -144.12 132.33 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -80.42 110.95 16.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.602 1.189 . . . . 0.0 111.054 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -142.5 130.28 11.37 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.04 132.53 27.87 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.926 -2.531 . . . . 0.0 110.986 -0.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.432 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 83.5 p -54.93 -35.15 63.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.7 m -125.11 118.96 27.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.399 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -121.82 129.75 75.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.8 m -113.81 107.71 16.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.391 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.573 HD12 ' CD2' ' A' ' 73' ' ' PHE . 5.2 pt -116.29 -179.44 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -74.93 177.0 6.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.13 88.7 4.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.24 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 142.03 -13.03 2.6 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.554 1.159 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.57 -179.81 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.248 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.497 ' CG ' ' N ' ' A' ' 29' ' ' VAL . 16.1 tt0 -121.98 159.72 26.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.215 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.497 ' N ' ' CG ' ' A' ' 28' ' ' GLU . 64.7 t -125.81 114.18 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -90.13 145.48 25.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.363 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.563 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 2.8 m-90 -123.32 144.96 49.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 108.011 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.5 t -127.5 138.43 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -101.58 129.01 47.59 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -115.2 -83.45 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.51 179.92 4.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.327 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.5 OUTLIER 59.68 62.06 1.81 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.575 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -106.49 165.14 13.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.03 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.575 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.11 164.3 88.67 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.927 -2.531 . . . . 0.0 110.954 0.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.544 ' CD2' ' HB3' ' A' ' 7' ' ' MET . 1.6 m-70 -125.0 122.19 36.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.552 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 58' ' ' HIS . 20.7 t-20 -110.92 169.38 8.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.539 HD11 ' CG ' ' A' ' 31' ' ' TRP . 56.0 mt -142.53 98.23 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.469 ' CG1' ' HG2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -110.47 130.54 63.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.253 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.626 ' CE2' ' CB ' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -92.75 91.64 7.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 111.013 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . . . -74.63 103.55 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.19 97.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 44' ' ' ALA . 2.7 m-20 -115.56 68.97 0.72 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.13 -22.34 27.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.587 HG13 ' CD1' ' A' ' 79' ' ' TYR . 2.5 p -92.46 -179.88 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.15 132.29 41.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.7 -37.68 79.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.87 -40.18 91.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.495 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 12.6 m -69.44 -51.28 37.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.41 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.501 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -59.48 -26.21 65.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.73 -39.31 80.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -75.8 -42.43 50.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.6 ' HB3' ' CE2' ' A' ' 43' ' ' PHE . 7.2 mp -78.71 0.5 26.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 1.1 m -92.06 146.53 23.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.453 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 46.6 m-70 -136.34 100.19 4.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.597 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 24.8 mttt -101.27 9.96 41.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.45 -60.57 8.3 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 80.04 131.7 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -121.86 134.97 54.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 109.229 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.436 ' N ' ' CD1' ' A' ' 63' ' ' PHE . 6.2 m-30 -110.51 34.84 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.69 159.6 41.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -101.46 98.92 9.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 155.85 -24.72 0.56 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.525 1.141 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -75.02 134.75 41.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 110.316 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 3.6 m -118.89 179.18 4.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.046 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.612 ' CD1' ' N ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -136.26 149.21 48.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 p -129.87 145.42 51.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.4 t -139.4 142.06 37.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.997 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.1 m -96.78 113.78 25.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 110.369 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CE2' ' CG1' ' A' ' 95' ' ' VAL . 4.8 m-30 -96.78 64.55 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 45.7 m -81.6 -55.25 4.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.365 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -73.12 128.2 88.11 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 126.84 10.23 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.986 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 167.43 -170.22 41.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.103 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.2 m -114.86 126.45 54.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 110.446 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.626 ' CB ' ' CE2' ' A' ' 43' ' ' PHE . 96.8 m-85 -116.44 101.41 8.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.3 m -75.71 93.56 3.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.413 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 20.7 p90 -104.28 131.97 51.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -135.02 179.99 5.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 110.974 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.44 ' SG ' ' ND1' ' A' ' 39' ' ' HIS . 0.1 OUTLIER -78.86 129.81 34.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 108.286 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.4 OUTLIER -56.12 -52.21 74.52 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -75.04 -48.64 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.495 1.787 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.99 54.25 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.569 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.04 -57.91 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.17 67.57 0.54 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.49 -47.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 144.51 44.91 0.04 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.81 99.28 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 0.799 . . . . 0.0 110.954 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.1 t -145.99 158.88 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -129.33 161.54 22.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -133.13 99.2 4.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 0.764 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.578 ' CG1' ' CE2' ' A' ' 73' ' ' PHE . 2.4 t -77.94 151.54 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.6 t -145.0 103.19 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.357 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.565 HG22 ' CD2' ' A' ' 73' ' ' PHE . 30.0 t -90.03 143.45 11.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.1 t70 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 54.4 m -90.78 128.47 36.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.365 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.476 HG13 ' CD1' ' A' ' 31' ' ' TRP . 70.8 t -136.69 102.95 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.66 147.28 37.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 54.3 mtm -110.95 40.88 1.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 150.0 106.98 0.39 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.435 1.084 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.3 p -41.3 155.92 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 110.074 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -75.78 60.32 1.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.219 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.5 t -148.93 -69.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.06 46.8 0.02 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.514 1.134 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.23 121.79 14.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 0.762 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.02 101.58 7.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.4 m -143.09 137.5 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.436 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 20.4 m-85 -85.63 103.46 14.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.454 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -133.8 127.78 19.53 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.568 1.168 . . . . 0.0 110.209 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.462 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.96 137.79 52.33 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.032 -0.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.9 p -60.44 -22.97 64.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.5 m -140.27 127.4 20.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.381 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.462 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -130.72 147.04 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.43 1.082 . . . . 0.0 109.345 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.3 m -132.06 100.01 4.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.478 HD11 ' CB ' ' A' ' 73' ' ' PHE . 1.1 pp -108.36 -179.38 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -78.46 175.36 10.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.242 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.4 115.8 27.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.67 -19.96 8.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.426 1.079 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.76 175.39 8.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 0.0 110.334 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -116.45 176.1 5.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.513 HG21 ' CE2' ' A' ' 73' ' ' PHE . 3.9 t -144.88 142.56 22.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.425 ' CG ' ' HB2' ' A' ' 68' ' ' SER . 2.0 ttpt -115.28 155.31 27.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.476 ' CD1' HG13 ' A' ' 5' ' ' VAL . 10.6 m-90 -129.45 108.32 10.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.6 p -89.75 137.92 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 46.0 p30 -103.45 166.54 10.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -146.9 -66.71 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -145.28 -179.14 6.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.577 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 2.2 mm? 67.66 47.91 1.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.556 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -95.77 164.44 18.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 110.025 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.556 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.06 159.13 98.4 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 120.943 -2.524 . . . . 0.0 110.993 0.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 2.2 m-70 -125.45 99.62 6.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.646 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -90.82 171.18 9.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 66.4 mt -140.28 99.35 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.416 ' CG2' ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -114.02 105.94 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.594 ' CD1' ' HB3' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -77.23 104.9 8.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.406 1.066 . . . . 0.0 111.019 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.538 ' HB1' ' CE2' ' A' ' 82' ' ' TYR . . . -82.45 108.76 16.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' ALA . . . -40.08 96.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 44' ' ' ALA . 18.6 m-20 -124.46 63.45 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.38 -24.31 5.9 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.569 HG12 ' CD1' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -102.54 177.29 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.768 . . . . 0.0 109.273 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.6 141.37 44.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.231 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -61.0 -41.46 96.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -62.09 -60.11 4.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.504 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -53.21 -36.18 60.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.419 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.444 ' HB1' ' CG1' ' A' ' 48' ' ' VAL . . . -79.6 -21.02 45.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.217 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -60.55 -39.91 89.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -79.41 -55.57 4.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.407 ' CD2' ' O ' ' A' ' 72' ' ' THR . 5.0 mt -49.79 -34.21 18.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 77.8 p -78.44 141.97 37.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.037 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -108.04 179.64 4.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 109.586 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -173.39 34.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.28 -123.72 4.85 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.583 1.177 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.555 HD23 ' CE1' ' A' ' 63' ' ' PHE . 4.4 tp -171.79 157.83 4.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 0.783 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.22 110.91 7.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.555 ' CE1' HD23 ' A' ' 61' ' ' LEU . 9.1 m-85 -136.27 38.18 2.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 111.043 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.31 117.15 8.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.63 101.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 118.1 39.47 0.75 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.71 102.49 8.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 110.302 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.425 ' HB2' ' CG ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -111.74 138.34 48.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.994 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -89.64 177.96 6.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.1 m -141.32 151.58 43.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 1.072 . . . . 0.0 110.428 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.45 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 7.3 t -144.97 143.63 30.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.999 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.407 ' O ' ' CD2' ' A' ' 56' ' ' LEU . 21.1 m -94.11 114.82 27.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.341 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.582 ' CZ ' HG13 ' A' ' 95' ' ' VAL . 4.5 m-30 -97.24 50.98 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -72.6 -70.28 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.72 123.77 76.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 118.72 5.37 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.498 1.788 . . . . 0.0 111.041 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.64 -149.14 6.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 m -137.89 101.47 4.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 110.463 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.594 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 94.9 m-85 -98.54 131.87 44.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.2 m -109.32 117.85 35.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.402 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.578 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 31.7 p90 -114.93 141.3 48.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.538 ' CE2' ' HB1' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -144.11 179.86 6.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 111.004 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 1.055 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 3.5 m -88.86 124.92 34.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.581 1.176 . . . . 0.0 108.265 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.479 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 2.2 mt-10 -42.96 -52.57 11.38 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.523 ' HG2' ' CE1' ' A' ' 86' ' ' HIS . 18.2 Cg_endo -74.98 -30.38 7.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.523 ' CE1' ' HG2' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -116.35 68.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.143 . . . . 0.0 109.599 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.27 -50.14 4.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.294 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -110.61 48.17 0.97 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -111.67 -36.96 5.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 146.34 -30.29 1.6 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.103 . . . . 0.0 111.029 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 1.055 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.1 OUTLIER -80.95 101.16 9.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 0.796 . . . . 0.0 111.019 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.459 ' CG1' ' HB3' ' A' ' 82' ' ' TYR . 2.6 t -145.31 156.62 13.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.454 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -118.19 171.63 14.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.11 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.98 128.93 20.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.582 HG13 ' CZ ' ' A' ' 73' ' ' PHE . 76.2 t -106.09 145.03 14.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.5 t -142.73 100.96 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 61.0 t -94.1 145.37 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.546 1.154 . . . . 0.0 109.366 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.3 m -119.1 141.91 48.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.139 . . . . 0.0 110.365 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.422 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 38.8 t -139.8 119.21 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.0 120.81 40.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 39' ' ' HIS . 53.2 mtm -92.54 75.86 5.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 127.25 109.08 1.55 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.9 p -40.66 152.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 0.732 . . . . 0.0 109.979 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -74.94 61.57 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.76 -57.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.041 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.98 50.98 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.6 126.89 26.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 0.719 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . 3.2 pp -74.5 99.72 3.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.1 m -145.84 145.93 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.637 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 2.8 m-85 -94.0 116.93 29.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.511 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -144.35 139.43 15.7 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.338 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.02 134.37 35.64 Favored 'Cis proline' 0 C--N 1.359 1.106 0 C-N-CA 121.03 -2.487 . . . . 0.0 110.952 0.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.428 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 13.8 t -49.83 -30.5 9.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -135.95 123.36 22.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.465 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -123.98 133.16 70.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 m -131.11 108.59 9.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.439 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.468 HD13 ' CB ' ' A' ' 73' ' ' PHE . 1.1 pt -120.02 -179.85 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -78.65 175.4 10.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.28 131.02 38.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.23 -25.54 21.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.21 179.7 4.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 0.74 . . . . 0.0 110.331 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -127.3 171.14 11.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.57 HG22 ' CE2' ' A' ' 73' ' ' PHE . 3.2 t -126.68 162.74 30.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.447 1.092 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.48 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 7.9 ttmt -133.06 141.86 48.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.643 ' CZ3' ' NE2' ' A' ' 58' ' ' HIS . 7.1 m-90 -111.3 160.05 17.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 108.008 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 5' ' ' VAL . 32.9 t -145.16 111.77 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.374 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.417 ' ND2' ' HB2' ' A' ' 62' ' ' ALA . 66.6 t30 -74.69 161.16 29.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -137.8 -86.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -138.14 -179.34 5.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.412 1.07 . . . . 0.0 109.352 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.602 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 2.8 mm? 68.4 39.36 2.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.621 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -77.51 167.31 37.31 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.025 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.621 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.01 167.37 80.64 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.984 0.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.602 ' CE1' ' O ' ' A' ' 36' ' ' LEU . 2.3 m-70 -140.38 100.32 3.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 109.552 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -105.91 161.81 14.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.568 ' HB ' ' CE1' ' A' ' 58' ' ' HIS . 2.1 mp -114.16 112.93 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.456 ' CG1' ' HG2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -120.36 101.63 11.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.617 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -80.22 97.99 7.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.525 1.141 . . . . 0.0 111.039 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.57 ' HB2' ' CE2' ' A' ' 82' ' ' TYR . . . -74.69 102.75 4.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.442 ' CB ' ' HA ' ' A' ' 50' ' ' ALA . . . -39.3 97.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 44' ' ' ALA . 10.7 t70 -125.9 75.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.27 -29.75 6.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.582 HG12 ' CD1' ' A' ' 79' ' ' TYR . 2.4 p -99.87 -179.55 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.529 0.782 . . . . 0.0 109.357 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.62 136.17 41.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.442 ' HA ' ' CB ' ' A' ' 45' ' ' ALA . . . -58.55 -52.0 67.5 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.72 -47.37 59.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.373 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.484 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 85.7 m -59.63 -50.36 74.16 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.418 1.074 . . . . 0.0 110.374 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.64 -16.8 64.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -68.13 -44.77 75.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -81.61 -44.18 17.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.571 HD12 ' CE1' ' A' ' 79' ' ' TYR . 3.4 mt -56.44 -18.44 11.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 86.3 p -90.23 149.73 22.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.975 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.643 ' NE2' ' CZ3' ' A' ' 31' ' ' TRP . 1.4 p80 -144.76 99.57 3.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.515 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.456 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 0.4 OUTLIER -80.44 54.67 2.09 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.54 ' HA3' ' CZ ' ' A' ' 69' ' ' PHE . . . -86.96 128.1 8.76 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.461 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 4.2 mm? -79.74 123.66 27.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 0.782 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.417 ' HB2' ' ND2' ' A' ' 33' ' ' ASN . . . -89.24 100.55 13.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 6.4 m-85 -121.09 -40.96 2.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.573 1.17 . . . . 0.0 111.062 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.79 118.55 30.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.7 98.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.246 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 134.13 44.63 0.12 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.4 111.24 16.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 0.735 . . . . 0.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.5 p -112.07 139.07 47.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.962 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.54 ' CZ ' ' HA3' ' A' ' 60' ' ' GLY . 29.8 m-85 -106.21 175.24 5.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.5 m -144.89 151.86 39.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.569 1.168 . . . . 0.0 110.415 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.419 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 8.1 t -141.27 135.59 30.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.172 . . . . 0.0 109.97 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.49 ' O ' ' CD2' ' A' ' 56' ' ' LEU . 13.1 m -81.06 118.84 22.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.354 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.591 ' CZ ' HG11 ' A' ' 95' ' ' VAL . 4.0 m-30 -104.58 50.1 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 p -73.99 -69.26 0.45 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.64 119.19 41.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.275 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 111.38 3.31 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.462 1.769 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -157.3 -140.58 2.97 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 86.4 m -144.93 93.17 2.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 0.73 . . . . 0.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.617 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 94.5 m-85 -90.83 135.55 33.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.077 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 21.1 m -116.18 112.6 21.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 110.436 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.585 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 32.3 p90 -114.56 142.84 45.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -145.4 -179.95 6.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 111.0 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.593 ' SG ' ' CE1' ' A' ' 86' ' ' HIS . 0.7 OUTLIER -86.26 155.9 20.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 108.305 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 6.2 mt-10 -80.85 -47.31 1.18 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 0.0 110.266 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.09 0.5 8.87 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.513 1.796 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.593 ' CE1' ' SG ' ' A' ' 83' ' ' CYS . 0.8 OUTLIER -171.78 83.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.578 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.17 11.41 37.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.64 37.97 0.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.095 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.84 32.68 5.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 109.243 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 97.72 6.53 57.2 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.637 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -122.81 99.69 6.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 111.016 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.446 ' O ' ' CB ' ' A' ' 16' ' ' PHE . 58.0 t -146.05 168.46 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.252 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.413 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -150.44 132.5 3.96 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -116.61 121.2 41.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.744 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.591 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 55.9 t -105.11 146.73 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.2 t -145.32 101.63 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.442 HG21 ' CD2' ' A' ' 73' ' ' PHE . 31.4 t -93.66 144.62 9.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.465 ' CB ' ' CG2' ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.4 m -144.84 139.31 27.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.417 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 4.1 t -141.55 122.1 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -94.89 101.12 12.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.442 ' O ' ' CG ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -50.57 97.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.18 -173.52 19.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.561 1.163 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.9 p -102.27 159.92 14.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 0.74 . . . . 0.0 109.928 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.43 69.16 1.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.0 t 70.48 103.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.96 -72.59 0.22 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.6 173.59 11.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.777 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.14 100.85 11.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.5 m -145.4 132.79 15.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.598 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 52.2 m-85 -75.44 123.09 24.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.45 ' HA ' ' N ' ' A' ' 19' ' ' SER . 8.1 tp10 -143.2 126.93 9.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.464 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.02 130.62 21.75 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.007 -0.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.45 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 82.6 p -48.87 -38.1 21.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.025 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.5 m -126.3 128.04 46.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.464 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 1.1 m -129.76 144.49 37.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.2 m -133.64 111.21 10.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.368 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.466 HD11 ' CD2' ' A' ' 73' ' ' PHE . 1.1 pt -119.32 -179.06 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -74.64 176.79 6.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.357 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.467 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . . . -101.09 90.85 4.29 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 148.24 -17.83 1.34 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -81.81 179.39 7.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 0.796 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -120.52 176.11 5.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.275 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.9 t -136.43 127.82 43.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -101.71 136.67 41.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.382 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.433 ' O ' ' CB ' ' A' ' 68' ' ' SER . 1.0 OUTLIER -106.31 172.39 6.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 108.039 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.1 t -144.15 136.12 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -75.64 113.26 12.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -107.96 -165.9 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -77.33 -178.94 5.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.529 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 2.2 mm? 69.36 53.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.508 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -97.35 162.13 23.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.966 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.53 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.3 Cg_endo -75.07 163.7 90.07 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 120.962 -2.516 . . . . 0.0 111.009 0.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -139.03 129.0 25.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.571 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -119.26 169.63 9.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.573 ' HB ' ' CE1' ' A' ' 58' ' ' HIS . 2.4 mp -133.13 99.72 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.217 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.39 113.7 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.623 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -89.66 98.51 11.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . . . -76.5 104.54 7.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.64 97.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 44' ' ' ALA . 41.1 t0 -122.44 75.24 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.41 -26.52 8.56 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.464 1.103 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.48 HG11 ' CD2' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -101.29 179.84 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 0.792 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.34 143.51 40.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.461 1.101 . . . . 0.0 109.355 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.37 -67.66 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.5 -41.29 1.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.461 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 2.9 m -60.64 -71.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -48.13 -24.41 1.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 52' ' ' THR . . . -57.37 -70.41 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -56.49 -25.5 51.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.564 HD12 ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -79.46 -19.35 50.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.407 1.067 . . . . 0.0 109.277 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 53' ' ' ALA . 87.1 p -91.62 140.78 29.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.994 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.573 ' CE1' ' HB ' ' A' ' 41' ' ' ILE . 0.3 OUTLIER -128.57 99.48 5.39 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.606 1.191 . . . . 0.0 109.659 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.13 -32.96 59.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.66 110.22 0.1 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 2.0 mm? -69.66 158.42 35.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.276 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.44 122.43 15.59 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 3.5 m-85 -122.34 34.56 5.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.941 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.12 128.56 26.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.75 86.54 3.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.409 1.068 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 164.08 -30.96 0.25 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -78.25 111.28 14.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 0.3 OUTLIER -105.62 172.52 6.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -121.38 171.15 8.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.6 m -144.64 153.57 41.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 55.6 p -144.76 162.98 35.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.971 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.4 m -115.8 110.83 19.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.38 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.564 ' CE2' HG12 ' A' ' 95' ' ' VAL . 4.5 m-30 -95.5 58.62 2.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 m -80.41 -65.96 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.19 122.52 70.51 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 106.23 2.23 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.537 1.809 . . . . 0.0 111.007 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.56 -152.08 5.93 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.546 1.154 . . . . 0.0 111.017 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 m -136.06 100.22 4.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 0.765 . . . . 0.0 110.361 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.623 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 78.5 m-85 -95.37 137.02 35.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.7 p -122.0 108.73 13.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.376 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.598 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 32.7 p90 -111.06 129.01 56.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 0.0 111.013 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.559 ' CD1' ' HG2' ' A' ' 87' ' ' ARG . 0.3 OUTLIER -133.55 -179.43 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.945 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.451 ' SG ' ' ND1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER -93.15 133.88 35.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 108.305 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.506 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 4.5 mt-10 -51.17 -51.62 66.44 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.568 1.168 . . . . 0.0 110.264 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -74.97 -17.03 19.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.481 1.779 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 83' ' ' CYS . 0.9 OUTLIER -131.07 65.8 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.618 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.559 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 12.3 mtp180 -86.08 -51.46 6.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 110.256 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -121.33 38.95 2.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -97.99 -40.11 8.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 154.81 -32.56 0.68 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.56 1.162 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -83.21 98.72 9.53 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.446 0.733 . . . . 0.0 110.943 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.472 ' CG1' ' N ' ' A' ' 93' ' ' GLY . 54.2 t -146.47 165.48 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.472 ' N ' ' CG1' ' A' ' 92' ' ' VAL . . . -126.72 155.29 19.56 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.428 1.08 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.38 109.08 8.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 0.732 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.564 HG12 ' CE2' ' A' ' 73' ' ' PHE . 2.2 t -97.44 147.27 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.1 t -145.49 116.87 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.467 ' CG1' ' HA ' ' A' ' 25' ' ' ALA . 19.9 t -102.4 149.54 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.475 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.3 m -137.84 129.74 28.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.559 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 61.2 t -126.85 145.25 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -114.62 128.84 56.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.2 ptp -93.57 45.77 1.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.451 ' O ' ' ND2' ' A' ' 34' ' ' ASN . . . 162.09 97.66 0.12 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.52 1.138 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.7 p -48.43 148.95 1.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 109.972 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.71 59.92 1.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.6 -62.1 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.987 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.82 44.19 0.02 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.569 1.168 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.93 124.49 13.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 0.792 . . . . 0.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.464 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -76.14 99.9 4.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.3 m -138.49 153.7 26.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.542 ' CD1' ' CE ' ' A' ' 91' ' ' MET . 11.2 m-85 -103.84 101.8 11.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 111.052 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.506 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.9 tt0 -136.33 137.2 23.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.343 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.0 Cg_endo -75.03 133.53 31.82 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.946 -2.522 . . . . 0.0 110.96 0.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.44 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 56.4 p -54.91 -36.0 64.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.459 1.099 . . . . 0.0 110.005 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.1 m -123.54 120.83 34.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.452 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.447 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 1.3 m -126.78 128.89 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.3 m -120.19 116.31 25.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 3' ' ' ALA . 1.1 pt -121.39 -179.28 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -75.37 175.91 7.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.13 102.67 14.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 135.76 -22.64 3.46 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.496 1.122 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.35 -179.35 4.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.743 . . . . 0.0 110.276 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.51 177.79 6.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.451 ' CG2' ' HB1' ' A' ' 3' ' ' ALA . 24.7 t -138.51 155.43 28.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -134.96 136.21 42.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.207 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.559 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 22.7 m-90 -107.84 126.28 52.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 108.027 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.1 t -104.08 128.28 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -88.51 153.77 20.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.234 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 8' ' ' GLY . 6.3 m-20 -131.61 -73.31 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.1 176.81 9.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.61 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 1.3 mt 72.06 69.43 0.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.547 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -110.69 163.63 16.79 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.547 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.93 162.31 93.08 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.023 -2.49 . . . . 0.0 111.052 -0.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.61 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -133.2 124.34 27.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.594 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.464 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.4 OUTLIER -119.58 163.57 17.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.232 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mt -128.01 99.8 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.59 120.51 57.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.607 ' CD1' ' HB3' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -92.28 103.45 15.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . . . -79.67 106.07 11.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' ALA . . . -39.8 97.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -131.7 72.59 1.5 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.44 -12.55 9.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.568 HG12 ' CD2' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -122.17 179.63 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.524 0.779 . . . . 0.0 109.339 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.98 149.65 39.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.356 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -64.98 -50.64 65.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -55.29 -52.28 63.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.507 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 1.3 m -57.55 -30.41 65.2 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.411 1.07 . . . . 0.0 110.378 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -86.45 -18.83 30.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -61.26 -51.46 68.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.28 -52.73 14.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.459 HD12 ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -50.2 -33.85 20.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 76.6 p -77.37 149.23 35.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 110.049 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -120.04 -179.81 4.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.692 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -166.37 -50.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -40.59 99.23 0.01 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.467 1.104 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.413 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 2.2 mm? -52.99 155.1 2.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 0.745 . . . . 0.0 109.337 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -129.76 137.53 50.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.413 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 4.6 m-85 -127.85 45.39 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.92 100.24 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.86 82.39 0.2 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.67 -35.28 0.1 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.451 1.095 . . . . 0.0 110.955 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.14 160.34 30.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 0.759 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 3.3 p -145.19 133.27 21.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.011 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -78.65 166.42 22.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 53.7 m -132.29 160.6 35.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.358 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.415 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 5.6 t -145.55 147.08 31.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.568 ' CG2' ' CG2' ' A' ' 74' ' ' THR . 99.4 m -92.7 128.15 38.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.156 . . . . 0.0 110.382 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.586 ' CD2' HG21 ' A' ' 97' ' ' VAL . 3.2 m-85 -117.46 41.59 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.568 ' CG2' ' CG2' ' A' ' 72' ' ' THR . 61.3 p -67.72 -70.23 0.27 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.427 1.08 . . . . 0.0 110.414 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.404 ' N ' ' OG1' ' A' ' 74' ' ' THR . 8.2 tt0 -67.99 132.18 92.17 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 125.79 9.57 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.42 1.747 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -166.18 -161.08 14.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.5 m -133.22 94.48 3.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 0.76 . . . . 0.0 110.413 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.607 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 74.6 m-85 -93.08 138.13 31.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 111.054 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.5 m -121.4 109.44 14.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 110.375 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.593 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 30.4 p90 -112.76 138.78 49.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.14 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.56 ' CD1' ' HG3' ' A' ' 87' ' ' ARG . 0.4 OUTLIER -145.07 -179.8 6.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.482 ' SG ' ' CE1' ' A' ' 39' ' ' HIS . 0.6 OUTLIER -78.86 120.1 22.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 108.332 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.547 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -46.32 -49.05 44.63 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.08 -57.86 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.437 ' ND1' ' SG ' ' A' ' 83' ' ' CYS . 0.5 OUTLIER -82.06 53.08 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.61 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.56 ' HG3' ' CD1' ' A' ' 82' ' ' TYR . 14.3 ttp-105 -91.63 33.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.336 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 169.51 56.15 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -144.04 -53.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.43 39.99 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.444 1.09 . . . . 0.0 110.972 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.542 ' CE ' ' CD1' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -144.57 99.13 3.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.595 0.82 . . . . 0.0 110.999 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 45.7 t -145.81 165.18 10.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -148.63 149.36 21.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.571 1.169 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.93 108.11 7.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.75 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.583 HG13 ' CZ ' ' A' ' 73' ' ' PHE . 1.5 t -89.81 152.7 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.3 t -145.98 105.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.586 HG21 ' CD2' ' A' ' 73' ' ' PHE . 37.3 t -89.4 145.03 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.463 ' CB ' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.0 m -93.01 126.81 38.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.464 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.467 ' CG2' HG11 ' A' ' 21' ' ' VAL . 24.6 t -137.92 104.42 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.15 124.43 33.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.4 ptt? -83.84 45.49 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 174.87 158.21 18.31 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.478 ' OG ' ' CG2' ' A' ' 15' ' ' VAL . 10.9 m -105.02 138.72 40.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 0.809 . . . . 0.0 109.96 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -74.78 62.45 1.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.07 -63.03 0.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 110.014 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.99 44.36 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.455 1.097 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.4 162.16 37.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.761 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.75 101.9 10.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.478 ' CG2' ' OG ' ' A' ' 9' ' ' SER . 12.1 m -143.29 177.65 2.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.417 1.073 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.546 ' CD2' ' HE3' ' A' ' 91' ' ' MET . 61.6 m-85 -121.95 119.47 31.61 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.468 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.7 OUTLIER -145.3 130.55 9.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.266 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.468 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -74.99 136.57 45.84 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.014 -2.494 . . . . 0.0 110.995 -0.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.2 p -55.35 -35.1 64.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.068 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.4 ' C ' HG12 ' A' ' 21' ' ' VAL . 5.4 m -132.24 141.4 49.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.393 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.467 HG11 ' CG2' ' A' ' 5' ' ' VAL . 0.9 OUTLIER -142.86 153.27 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.2 m -131.85 100.99 5.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.391 1.057 . . . . 0.0 110.432 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 27' ' ' GLU . 1.4 pp -110.46 -179.45 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -76.35 179.79 5.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.76 104.71 15.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 119.99 11.63 6.87 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -94.51 -179.86 5.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 0.735 . . . . 0.0 110.27 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.435 ' CD ' ' O ' ' A' ' 71' ' ' SER . 3.3 tp10 -122.29 146.14 47.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.581 HG12 ' CZ3' ' A' ' 31' ' ' TRP . 16.1 t -121.76 128.02 75.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.442 ' CG ' ' HB3' ' A' ' 68' ' ' SER . 1.3 ttmp? -99.95 149.47 23.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.581 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 5.2 m-90 -123.5 128.53 49.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 108.018 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.1 t -87.92 134.49 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.38 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -77.78 119.78 21.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -101.61 -173.78 2.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.401 ' C ' ' CD1' ' A' ' 36' ' ' LEU . 3.2 mmmt -79.97 178.86 7.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.401 ' CD1' ' C ' ' A' ' 35' ' ' LYS . 2.0 mp 75.45 34.18 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.382 1.051 . . . . 0.0 109.26 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.483 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -68.38 160.98 73.1 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.945 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 63' ' ' PHE . 18.4 Cg_endo -75.0 150.8 96.04 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 121.047 -2.48 . . . . 0.0 110.983 -0.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -132.18 100.76 5.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 109.589 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.401 ' ND2' HG22 ' A' ' 42' ' ' VAL . 11.8 p-10 -100.14 177.19 5.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.238 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.511 HD11 ' CG ' ' A' ' 31' ' ' TRP . 7.3 mt -137.35 103.32 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.401 HG22 ' ND2' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -106.82 125.55 62.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.613 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -100.48 95.82 6.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.954 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.484 ' CB ' ' OH ' ' A' ' 82' ' ' TYR . . . -75.19 127.38 33.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.14 95.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' ALA . 52.9 t0 -119.46 52.81 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.09 -9.13 7.08 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.547 HG13 ' CE2' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -120.57 176.58 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.95 141.57 42.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.07 -28.06 69.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.389 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -69.08 -60.72 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.497 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -59.27 -24.85 63.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.413 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.417 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . . . -85.06 -20.92 29.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.31 -52.52 58.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.04 -37.13 78.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.4 HD12 ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -70.67 -22.74 62.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.409 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.1 m -81.18 157.25 25.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.423 ' ND1' ' CD1' ' A' ' 69' ' ' PHE . 65.5 m-70 -134.23 100.27 4.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.59 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -84.55 -53.43 5.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -40.24 105.04 0.05 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.457 1.098 . . . . 0.0 111.05 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -50.66 179.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 0.0 109.246 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.24 133.78 22.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 109.232 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.574 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 11.1 m-85 -130.54 39.42 3.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.29 127.63 19.87 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.43 77.88 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.21 -33.58 0.1 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -74.54 151.59 39.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 110.321 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 67.1 m -135.54 139.52 44.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.423 ' CD1' ' ND1' ' A' ' 58' ' ' HIS . 0.8 OUTLIER -81.32 170.51 15.94 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.93 144.67 35.31 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.423 1.077 . . . . 0.0 110.409 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.435 ' O ' ' CD ' ' A' ' 28' ' ' GLU . 1.3 p -141.78 160.31 40.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.7 m -110.48 127.66 55.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.393 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CZ ' HG11 ' A' ' 95' ' ' VAL . 4.6 m-30 -106.34 52.4 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.6 m -72.28 -61.34 1.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 110.447 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.26 119.49 62.46 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 106.22 2.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.79 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.0 -148.57 5.09 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 51.5 m -138.48 99.3 3.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 0.728 . . . . 0.0 110.453 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.608 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 69.1 m-85 -89.71 145.43 25.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 111.083 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.6 m -129.9 111.93 13.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.355 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.613 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 29.5 p90 -114.11 139.33 49.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.484 ' OH ' ' CB ' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -137.1 177.91 7.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.951 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 1.28 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 94.4 m -82.05 133.04 35.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 108.335 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 1.1 mt-10 -57.18 -50.53 87.65 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.11 -46.52 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.503 1.791 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.35 42.81 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.596 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -68.05 -53.28 26.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 110.34 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -110.15 52.45 0.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.39 -41.8 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 138.35 45.05 0.08 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.567 1.167 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 1.28 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.3 OUTLIER -144.9 99.65 3.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 111.048 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 38.3 t -146.0 169.54 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -135.71 175.56 20.71 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -144.74 134.87 24.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 0.0 109.246 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.572 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 2.1 t -120.86 148.61 23.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.6 t -138.51 113.69 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.502 HG23 ' CD2' ' A' ' 73' ' ' PHE . 89.2 t -96.31 142.08 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.431 ' N ' HG11 ' A' ' 97' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.489 ' CB ' HG22 ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.9 m -131.26 149.55 52.52 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 0.0 110.369 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.4 t -144.14 111.61 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.76 137.38 32.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.438 ' HE3' ' CB ' ' A' ' 39' ' ' HIS . 11.9 tmm? -111.24 121.09 44.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 111.014 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 9' ' ' SER . . . 84.95 91.73 0.8 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.431 1.082 . . . . 0.0 111.008 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 8' ' ' GLY . 80.9 p -38.25 151.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 0.735 . . . . 0.0 110.024 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -74.79 58.53 0.83 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.47 -65.02 0.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.041 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.16 45.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.556 1.16 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.11 120.09 10.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.59 100.91 4.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.2 m -144.94 135.3 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.592 1.182 . . . . 0.0 109.218 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.573 ' CE2' ' HG2' ' A' ' 91' ' ' MET . 93.2 m-85 -84.93 117.75 24.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.458 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.4 mt-10 -145.33 126.18 7.44 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.458 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.0 134.8 37.6 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.998 -2.501 . . . . 0.0 111.048 -0.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.9 p -64.3 -29.74 70.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.952 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.7 m -124.57 124.69 42.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -133.46 138.07 51.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.225 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -126.15 101.41 6.75 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 0.0 110.389 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.598 HD13 ' CD2' ' A' ' 73' ' ' PHE . 2.0 pt -111.62 -178.57 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.157 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -73.69 177.24 5.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.469 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . . . -99.02 91.51 5.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 145.66 -16.47 1.81 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.465 1.103 . . . . 0.0 111.047 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.455 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 3.2 tt0 -75.19 179.22 5.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.754 . . . . 0.0 110.315 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -123.95 153.88 40.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.576 HG21 ' CE2' ' A' ' 73' ' ' PHE . 10.7 t -127.25 129.24 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.29 148.35 24.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -115.64 101.54 8.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 1.146 . . . . 0.0 107.986 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.5 t -85.99 148.46 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.248 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -121.3 171.82 8.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.245 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -152.61 -69.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.483 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -131.04 -179.71 5.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.601 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 2.3 mm? 66.38 69.95 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.565 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -131.1 164.27 43.44 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.985 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.565 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.02 163.84 89.77 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.963 -2.515 . . . . 0.0 111.032 -0.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.601 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -145.39 135.63 23.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 109.625 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -105.94 175.18 5.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 74.9 mt -142.43 99.22 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.426 ' CG1' ' HG2' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -112.75 122.42 66.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.614 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -92.97 100.71 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 111.042 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.498 ' CB ' ' OH ' ' A' ' 82' ' ' TYR . . . -75.96 132.19 40.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.0 91.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -119.16 78.0 1.25 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.17 -26.53 16.68 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.57 HG12 ' CD1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -101.15 -179.75 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.581 0.813 . . . . 0.0 109.359 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -74.86 167.74 21.28 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.54 -69.96 0.5 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -41.47 -47.12 3.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.517 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 1.6 m -53.53 -53.72 47.54 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.115 . . . . 0.0 110.451 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -66.61 -22.34 66.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.68 -27.2 68.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.48 -38.24 14.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.8 mt -74.15 -22.06 59.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.352 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 53' ' ' ALA . 23.2 m -74.22 137.8 43.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -114.96 99.51 7.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.644 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.426 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 4.8 mtpm? -101.41 52.57 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -108.23 -154.09 17.39 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.475 HD12 ' CE1' ' A' ' 63' ' ' PHE . 0.5 OUTLIER -140.2 111.14 6.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.19 99.9 10.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.55 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 3.7 m-85 -132.88 41.87 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.03 116.8 8.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.99 87.45 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.86 44.08 0.16 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.92 143.33 48.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 0.726 . . . . 0.0 110.365 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.3 p -144.07 133.86 23.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.025 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -76.72 -179.81 5.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 p -142.51 141.31 32.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.366 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.3 t -128.25 142.96 51.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.033 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 29.1 m -94.01 96.35 9.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.354 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.598 ' CD2' HD13 ' A' ' 23' ' ' ILE . 3.8 m-30 -82.42 56.8 3.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.6 m -85.23 -64.13 1.21 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.89 126.85 88.12 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 115.62 4.34 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -170.09 -147.11 5.39 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.3 m -144.02 112.13 6.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 0.785 . . . . 0.0 110.397 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.614 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 96.1 m-85 -104.63 142.91 33.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.4 m -118.87 110.08 16.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.083 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.573 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 52.0 p90 -105.29 134.77 47.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.498 ' OH ' ' CB ' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -145.9 -179.29 6.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 0.0 110.985 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 1.041 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 8.4 m -85.31 147.09 26.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 108.328 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.517 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 2.1 mt-10 -70.1 -50.81 15.4 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.97 -45.46 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.786 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.422 ' CE1' ' HE2' ' A' ' 39' ' ' HIS . 26.5 m170 -92.02 38.38 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 109.636 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 87' ' ' ARG . 5.3 ttp-105 -65.39 -59.39 4.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 110.329 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.23 69.42 0.3 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.27 -47.35 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 0.81 . . . . 0.0 109.292 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 147.07 44.71 0.03 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.577 1.173 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 1.041 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.7 OUTLIER -145.17 98.88 3.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.405 0.709 . . . . 0.0 110.995 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.7 t -146.54 169.56 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.501 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -142.72 156.46 26.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.23 143.4 50.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 0.794 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.552 HG13 ' CE2' ' A' ' 73' ' ' PHE . 40.8 t -122.79 146.91 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.6 t -138.99 102.65 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.379 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.542 HG21 ' CD2' ' A' ' 73' ' ' PHE . 32.8 t -99.16 140.49 18.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 t0 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.0 m -141.65 137.96 32.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.356 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.8 t -144.35 109.11 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.212 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -74.63 142.41 44.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.88 89.47 5.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 9' ' ' SER . . . 93.13 127.41 4.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 8' ' ' GLY . 0.8 OUTLIER -43.06 166.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 110.01 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.418 ' O ' ' HB3' ' A' ' 11' ' ' SER . 10.9 p30 -73.17 67.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.418 ' HB3' ' O ' ' A' ' 10' ' ' ASP . 35.7 t 66.85 99.62 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.989 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.13 -65.59 0.2 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.31 133.64 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.447 ' CA ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -75.42 99.79 4.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.0 m -145.26 133.23 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.137 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.507 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 82.8 m-85 -79.15 116.0 19.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.452 1.095 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.452 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -141.24 126.23 10.76 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 110.318 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.0 130.19 20.64 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.039 -2.484 . . . . 0.0 111.0 0.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.446 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 84.7 p -37.86 -39.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.08 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 t -151.36 157.93 43.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.427 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.407 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -139.77 168.34 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.361 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.7 m -133.78 103.17 5.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.423 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.567 HD11 ' CD2' ' A' ' 73' ' ' PHE . 6.8 pt -109.96 -179.83 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -75.05 178.04 5.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.43 93.71 6.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.361 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.0 -19.11 2.15 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.405 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 2.3 tt0 -76.15 -179.85 5.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 0.733 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -124.97 -179.5 4.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.639 ' CG2' ' CE2' ' A' ' 73' ' ' PHE . 38.4 t -131.86 162.56 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.583 1.177 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.445 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 1.5 tttp -137.8 131.46 31.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.338 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.571 ' CD1' HD11 ' A' ' 41' ' ' ILE . 10.5 m-90 -105.54 156.52 18.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 108.008 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.5 t -140.0 129.66 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.418 ' ND2' ' HB2' ' A' ' 62' ' ' ALA . 6.9 m-20 -95.14 150.83 19.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.584 1.177 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -131.88 -77.01 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.11 176.54 9.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.447 HD12 ' CA ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER 80.0 45.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.548 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -91.89 163.94 25.7 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.969 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.548 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.01 164.39 88.51 Favored 'Cis proline' 0 C--N 1.359 1.104 0 C-N-CA 121.049 -2.48 . . . . 0.0 110.962 0.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.41 ' ND1' ' SG ' ' A' ' 83' ' ' CYS . 0.7 OUTLIER -139.23 137.55 36.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -124.53 172.64 9.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.571 HD11 ' CD1' ' A' ' 31' ' ' TRP . 9.8 mt -139.66 99.27 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.41 126.85 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 2.4 m-85 -95.1 103.18 15.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.565 ' HB1' ' CE2' ' A' ' 82' ' ' TYR . . . -79.46 101.45 8.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.78 97.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.2 m-20 -124.39 85.28 2.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.99 -34.18 5.59 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.57 1.169 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.576 HG11 ' CD1' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -89.49 -178.86 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.792 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.06 169.18 18.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.62 -59.78 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.37 -54.77 27.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.507 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 16.4 m -46.37 -61.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.438 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.48 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -56.3 -34.2 66.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.41 -21.91 52.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.13 -30.03 16.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.241 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.605 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 5.7 mp -92.09 -1.43 57.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.545 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -83.83 119.76 25.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 110.006 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 3.5 m-70 -94.5 170.28 9.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.59 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.21 52.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.484 ' HA3' ' CZ ' ' A' ' 69' ' ' PHE . . . -107.13 138.7 14.62 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -86.69 128.83 35.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 0.792 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.418 ' HB2' ' ND2' ' A' ' 33' ' ' ASN . . . -89.87 120.21 30.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.513 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 8.7 m-85 -146.86 -45.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.601 1.188 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.55 116.14 27.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.44 92.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.165 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.17 44.98 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.024 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.16 100.98 7.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 110.241 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 10.2 p -108.82 125.54 52.08 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 32.4 m-85 -92.9 173.1 7.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 29' ' ' VAL . 11.2 m -145.96 149.89 35.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.5 t -138.34 144.57 40.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.929 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.8 m -93.51 107.26 19.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.639 ' CE2' ' CG2' ' A' ' 29' ' ' VAL . 5.9 m-30 -91.61 50.85 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.6 m -70.68 -64.47 0.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.404 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -62.1 122.86 75.24 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 123.09 7.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 177.64 -138.69 3.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.433 1.083 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.0 t -145.18 130.38 18.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 110.371 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.576 ' CD1' HG11 ' A' ' 48' ' ' VAL . 93.2 m-85 -126.84 113.37 16.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 61.3 p -95.14 118.69 32.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -119.49 142.28 48.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.565 ' CE2' ' HB1' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -141.19 179.91 6.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.41 ' SG ' ' ND1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER -79.62 146.77 32.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 108.362 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.499 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -73.28 -51.86 5.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.266 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -74.89 -49.48 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.538 1.809 . . . . 0.0 111.057 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -91.12 46.58 1.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.633 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.405 ' NH1' ' HB3' ' A' ' 87' ' ' ARG . 16.0 ttp-105 -67.97 -55.46 12.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.91 60.67 0.34 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.58 1.175 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.14 -46.08 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 144.83 43.76 0.04 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.507 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -145.44 100.18 3.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.623 0.837 . . . . 0.0 111.047 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.425 ' CG1' ' N ' ' A' ' 93' ' ' GLY . 97.2 t -142.92 165.98 15.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.425 ' N ' ' CG1' ' A' ' 92' ' ' VAL . . . -136.43 174.48 21.5 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -144.99 148.52 33.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 109.327 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.576 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 40.5 t -127.19 144.35 37.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.3 t -138.39 120.36 17.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.435 1.084 . . . . 0.0 109.263 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.8 t -121.76 139.61 48.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.251 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.476 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.9 m -90.52 125.4 35.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.404 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.5 100.43 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.368 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -87.45 135.22 33.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -75.37 -121.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 9' ' ' SER . . . -43.83 122.82 4.33 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.417 1.073 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 8' ' ' GLY . 83.6 p -43.13 165.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.967 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -74.59 68.71 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.22 95.04 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.068 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.51 -71.2 0.14 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.82 132.41 20.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.772 . . . . 0.0 109.268 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.04 99.99 4.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.4 m -145.15 141.97 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.571 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 71.5 m-85 -80.01 124.98 29.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.568 1.167 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.487 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -137.99 131.82 16.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 110.276 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.6 Cg_endo -74.94 132.61 28.12 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 121.001 -2.499 . . . . 0.0 111.034 -0.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.441 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 38.0 p -42.64 -37.02 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.5 m -133.39 117.73 17.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.374 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.478 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -114.64 144.77 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.3 m -133.4 103.71 6.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.383 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.476 ' CG2' ' HB3' ' A' ' 3' ' ' ALA . 1.1 pt -111.55 176.83 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.92 173.63 10.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.93 131.07 38.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.94 -11.97 57.52 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.37 178.19 7.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 0.799 . . . . 0.0 110.346 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 28' ' ' GLU . 8.7 mp0 -121.4 179.8 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.563 HG11 ' CZ3' ' A' ' 31' ' ' TRP . 2.4 t -139.09 160.11 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 2.1 ttmt -129.71 152.12 49.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.563 ' CZ3' HG11 ' A' ' 29' ' ' VAL . 11.1 m-90 -123.11 154.69 38.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 108.038 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.8 t -138.54 114.87 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -87.03 135.74 33.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -111.09 -87.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.244 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -131.43 179.47 6.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 109.238 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.59 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.8 OUTLIER 76.2 54.07 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.491 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -94.78 161.17 29.53 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 110.007 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.491 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.96 156.81 99.89 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.97 -2.513 . . . . 0.0 111.066 -0.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.618 ' CE1' ' CE1' ' A' ' 86' ' ' HIS . 0.3 OUTLIER -136.81 99.65 4.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.669 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -94.96 175.94 6.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.494 HD12 ' CD1' ' A' ' 31' ' ' TRP . 3.0 mt -134.6 98.49 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.246 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -108.37 127.1 64.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 0.0 109.291 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 2.2 m-85 -98.04 113.02 24.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.507 ' HB1' ' CZ ' ' A' ' 82' ' ' TYR . . . -92.38 109.44 20.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.2 96.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 44' ' ' ALA . 27.4 t70 -122.49 80.44 1.73 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.83 -33.68 5.63 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.499 HG11 ' CD2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -91.37 179.41 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.265 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.29 138.03 39.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.411 1.069 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' ASP . . . -51.91 -67.77 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -40.33 -53.69 2.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.511 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 2.0 m -49.81 -68.35 0.18 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.49 1.119 . . . . 0.0 110.37 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.91 -23.33 4.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 51' ' ' ASP . . . -63.21 -37.72 88.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.13 -33.17 56.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.6 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 6.8 mp -85.2 -1.21 56.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.385 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.574 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -84.32 117.02 23.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.984 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.505 ' O ' ' CG ' ' A' ' 59' ' ' LYS . 1.1 m-70 -94.55 166.39 12.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.565 1.166 . . . . 0.0 109.632 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -173.04 63.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -118.3 129.69 8.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.58 HD11 ' CD1' ' A' ' 63' ' ' PHE . 1.8 tm? -58.61 134.51 56.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -110.97 99.2 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.58 ' CD1' HD11 ' A' ' 61' ' ' LEU . 1.4 m-85 -145.58 28.6 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 0.0 111.099 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 66' ' ' GLY . . . -142.46 119.79 11.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.38 77.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 153.29 44.35 0.02 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.71 135.61 50.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 0.772 . . . . 0.0 110.272 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.4 m -143.72 122.76 12.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.987 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.421 ' HB3' ' NE2' ' A' ' 58' ' ' HIS . 14.2 m-85 -98.3 174.26 6.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 111.022 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.442 ' O ' ' NE2' ' A' ' 58' ' ' HIS . 12.6 m -143.57 151.15 39.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.366 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.7 t -138.23 158.89 43.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.6 m -105.19 111.78 24.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.565 ' CZ ' HG13 ' A' ' 95' ' ' VAL . 3.8 m-30 -102.65 62.12 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 p -82.07 -62.57 1.59 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.419 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.1 126.42 92.74 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.355 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.94 111.25 3.28 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.449 1.763 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -165.36 -145.71 4.52 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.7 m -143.22 113.95 7.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 110.373 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.511 ' OH ' ' CG2' ' A' ' 52' ' ' THR . 80.8 m-85 -104.1 108.23 19.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 21.7 m -85.64 103.4 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.419 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.43 ' CE2' ' CD1' ' A' ' 16' ' ' PHE . 27.0 p90 -112.74 149.47 32.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 111.05 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.507 ' CZ ' ' HB1' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -144.19 -179.67 6.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.964 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.516 ' SG ' ' CZ ' ' A' ' 16' ' ' PHE . 3.7 m -79.48 142.93 35.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 108.312 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.528 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -76.13 -50.12 3.06 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.566 1.166 . . . . 0.0 110.295 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -75.0 0.25 9.14 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.618 ' CE1' ' CE1' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -143.23 49.23 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.624 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.3 ptt85 -95.33 52.99 1.45 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.082 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 161.85 51.62 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.483 1.115 . . . . 0.0 111.051 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.89 -46.8 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.761 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 142.33 45.12 0.05 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.12 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.571 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 6.2 ttt -140.9 99.41 3.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 30.2 t -145.81 159.25 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 0.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -116.89 178.2 17.07 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.502 1.126 . . . . 0.0 110.934 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -145.35 99.14 3.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.254 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.565 HG13 ' CZ ' ' A' ' 73' ' ' PHE . 5.0 t -79.03 147.9 6.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.4 t -144.04 123.29 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.4 HG21 ' CD2' ' A' ' 73' ' ' PHE . 41.6 t -120.82 137.19 55.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.973 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.448 ' HB1' ' CG2' ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 92.0 m -97.23 118.41 33.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.413 HG12 ' CD1' ' A' ' 31' ' ' TRP . 42.6 t -136.93 159.4 36.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.357 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -138.55 162.62 34.1 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.448 ' SD ' ' CB ' ' A' ' 39' ' ' HIS . 9.4 ptp -91.39 -29.07 17.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -133.71 -179.28 16.23 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 m -107.26 144.08 34.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.767 . . . . 0.0 109.976 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -76.31 57.54 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.588 1.18 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.04 -75.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.99 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.06 44.0 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.11 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.92 123.83 12.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.435 ' CD1' ' SD ' ' A' ' 91' ' ' MET . 1.4 pp -79.76 99.52 7.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.398 1.061 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.7 m -145.29 167.03 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.532 ' CE2' ' HE2' ' A' ' 91' ' ' MET . 33.0 m-85 -107.73 114.11 27.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HA ' ' N ' ' A' ' 19' ' ' SER . 11.0 tt0 -145.37 129.57 8.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.363 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -75.06 129.1 17.77 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.005 0.068 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.485 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 60.4 p -55.52 -39.14 70.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.016 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.1 m -123.05 133.48 54.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.409 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.474 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 3.1 m -135.69 153.7 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.4 m -133.87 102.06 5.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.442 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.455 HD13 ' CB ' ' A' ' 73' ' ' PHE . 1.1 pt -111.19 -179.62 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -81.01 178.46 8.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.04 88.99 4.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 146.52 -16.8 1.65 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.98 -179.76 4.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.753 . . . . 0.0 110.331 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -124.88 171.9 9.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.226 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.535 HG21 ' CE2' ' A' ' 73' ' ' PHE . 4.4 t -130.09 149.37 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.408 ' N ' HG12 ' A' ' 29' ' ' VAL . 18.4 ttmt -123.42 139.88 53.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.413 ' CD1' HG12 ' A' ' 5' ' ' VAL . 2.9 m-90 -119.4 119.66 34.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 0.0 107.988 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.0 t -87.94 141.94 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -77.44 136.34 38.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -134.6 -179.0 5.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 177.89 6.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.419 HD11 ' CA ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER 78.67 47.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.944 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.511 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -89.31 162.66 36.48 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.511 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.92 164.56 88.07 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.049 -0.111 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.455 ' ND1' ' SG ' ' A' ' 83' ' ' CYS . 0.6 OUTLIER -139.84 99.93 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.179 . . . . 0.0 109.522 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -88.45 178.41 6.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.565 HD13 ' CE1' ' A' ' 58' ' ' HIS . 95.3 mt -144.01 101.03 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.471 HG13 ' CG ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -114.5 120.91 65.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 109.324 179.947 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -94.59 100.73 12.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.542 1.151 . . . . 0.0 110.986 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.581 ' HB2' ' CE2' ' A' ' 82' ' ' TYR . . . -76.21 106.29 7.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.1 95.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.8 OUTLIER -111.22 76.19 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.27 -25.45 12.49 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.579 HG11 ' CD1' ' A' ' 79' ' ' TYR . 1.3 p -94.49 175.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 0.776 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.74 131.69 41.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.58 -46.3 70.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.18 . . . . 0.0 109.378 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 1.0 OUTLIER -49.68 -54.98 15.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.26 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.501 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 27.2 m -55.46 -66.47 0.41 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.443 1.089 . . . . 0.0 110.393 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -42.9 -28.6 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 51' ' ' ASP . . . -61.96 -70.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.14 -29.88 58.65 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.584 HD11 ' CD1' ' A' ' 79' ' ' TYR . 6.3 mt -73.45 -32.05 64.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 53' ' ' ALA . 97.4 p -76.81 144.83 38.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.565 ' CE1' HD13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -137.03 99.42 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.591 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.471 ' CG ' HG13 ' A' ' 42' ' ' VAL . 16.8 mttt -85.3 56.09 3.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -88.53 151.07 22.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -86.27 135.85 33.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 109.389 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -109.78 112.48 24.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -140.15 -46.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.1 117.65 25.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.63 109.86 6.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.8 -20.53 2.17 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.552 1.157 . . . . 0.0 111.047 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -83.52 115.38 22.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 0.804 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.9 m -108.39 155.51 20.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 110.051 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -107.58 170.03 8.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.045 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.8 m -142.91 152.6 42.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.443 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.467 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 35.5 p -143.19 161.48 38.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.4 m -115.72 110.47 19.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.44 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.57 ' CE2' HG12 ' A' ' 95' ' ' VAL . 5.6 m-30 -93.83 49.75 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 m -70.59 -55.9 7.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 110.465 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.56 123.15 88.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.265 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 128.17 11.28 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.547 1.814 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -177.1 -150.86 8.62 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.499 1.124 . . . . 0.0 111.079 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 m -137.92 92.48 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 0.743 . . . . 0.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.586 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 88.3 m-85 -90.85 135.42 33.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 45.7 m -118.52 109.66 16.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.574 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 38.4 p90 -108.82 137.97 45.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.581 ' CE2' ' HB2' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -145.01 -179.67 6.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.455 ' SG ' ' ND1' ' A' ' 39' ' ' HIS . 0.6 OUTLIER -79.31 136.67 37.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.081 . . . . 0.0 108.34 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.483 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -65.1 -52.6 47.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -74.89 -42.23 0.57 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.491 1.785 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -100.46 49.02 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.626 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -46.09 85.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.28 50.53 0.78 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.88 53.18 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 43.33 42.92 5.78 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.532 ' HE2' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -138.87 98.52 3.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 0.774 . . . . 0.0 111.048 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 93' ' ' GLY . 92.9 t -146.54 168.22 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.523 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -141.87 124.03 2.37 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.395 1.059 . . . . 0.0 111.107 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.19 119.82 40.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.57 HG12 ' CE2' ' A' ' 73' ' ' PHE . 3.3 t -107.7 138.86 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.414 1.071 . . . . 0.0 109.386 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.2 t -131.14 112.16 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 45.8 t -103.72 138.79 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.276 -179.998 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.42 ' HB3' ' CG2' ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 83.3 m -145.13 129.56 17.86 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.473 ' CG2' HG13 ' A' ' 21' ' ' VAL . 71.2 t -129.98 124.39 58.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.33 145.94 35.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.75 -58.83 4.56 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.43 1.081 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -130.14 -102.86 1.0 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.445 ' C ' ' ND2' ' A' ' 34' ' ' ASN . 89.4 p -152.52 156.74 39.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 110.021 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -86.35 69.45 10.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.0 t -162.27 -77.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.929 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.24 39.11 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.69 140.19 36.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.77 . . . . 0.0 109.269 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.423 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 1.6 pp -96.04 100.2 11.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.7 m -144.88 132.02 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.555 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 45.6 m-85 -77.67 112.98 15.05 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.45 1.094 . . . . 0.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -142.89 133.2 12.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.962 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -74.99 132.58 28.03 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.96 0.001 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.437 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 80.0 p -48.62 -36.79 16.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.967 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.4 m -128.51 135.4 49.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.399 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.473 HG13 ' CG2' ' A' ' 5' ' ' VAL . 0.9 OUTLIER -138.25 161.53 31.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.9 m -128.42 106.82 9.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.349 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.489 ' CD1' ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -110.49 145.32 17.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.337 179.931 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.489 ' O ' ' CD1' ' A' ' 23' ' ' ILE . 3.4 mtpp -73.59 169.49 17.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.83 141.63 40.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.48 -9.09 59.67 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.544 1.152 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -80.99 169.39 17.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 110.303 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.452 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 21.8 pm0 -119.62 164.96 15.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.42 ' CG2' ' HB3' ' A' ' 3' ' ' ALA . 45.9 t -132.91 131.19 59.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.153 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -105.53 145.1 31.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.279 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.441 ' O ' ' CB ' ' A' ' 68' ' ' SER . 3.8 m-90 -122.4 116.45 24.03 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.8 t -84.96 148.26 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.363 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -74.9 158.06 34.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.445 ' ND2' ' C ' ' A' ' 9' ' ' SER . 4.2 m120 -150.46 -174.27 4.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -179.2 4.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.423 ' HG ' ' CD2' ' A' ' 14' ' ' LEU . 3.2 mm? 66.35 28.71 9.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.374 -179.906 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.501 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -75.12 161.82 75.71 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.53 1.144 . . . . 0.0 109.97 -179.911 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.501 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.01 162.71 92.31 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.04 -2.483 . . . . 0.0 110.961 -0.006 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -130.58 101.23 5.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.564 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 59' ' ' LYS . 3.2 m120 -78.96 168.54 19.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.372 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.8 mt -142.42 99.38 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.17 127.32 72.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.596 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -100.95 98.92 9.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.988 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -74.03 119.07 17.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.57 95.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.405 1.065 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -121.98 87.17 2.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.14 -24.46 32.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.577 1.173 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -102.25 -179.94 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 109.234 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -74.79 169.59 17.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.405 1.066 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -78.04 -65.46 0.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.211 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -49.32 -36.18 20.39 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.496 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 15.7 m -64.62 -38.26 90.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.357 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.91 -8.09 52.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -69.64 -46.3 66.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.415 1.072 . . . . 0.0 109.375 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.33 -51.01 7.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.582 ' HG ' ' CE2' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -49.45 -24.56 2.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.0 p -81.83 154.89 25.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -121.19 178.19 4.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.555 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.445 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -151.74 -49.41 0.11 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 179.91 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -40.08 139.49 1.11 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.49 1.119 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.9 128.01 55.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 0.805 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.436 ' C ' ' CD1' ' A' ' 63' ' ' PHE . . . -95.36 157.31 15.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.393 1.058 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.436 ' CD1' ' C ' ' A' ' 62' ' ' ALA . 2.3 m-85 -136.59 -43.61 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.53 142.09 44.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.243 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.12 61.46 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.59 1.181 . . . . 0.0 109.259 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -178.06 35.38 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -135.97 100.17 4.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.595 0.82 . . . . 0.0 110.298 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 24.0 p -113.36 147.98 36.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.96 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -93.18 176.14 6.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 m -144.62 143.1 30.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 110.366 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.9 p -143.73 154.66 43.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 110.021 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.512 ' O ' ' CD2' ' A' ' 56' ' ' LEU . 2.3 m -132.0 126.05 33.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 110.419 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.764 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 2.8 m-85 -98.12 67.86 1.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 -179.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 m -50.11 -36.81 31.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.366 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -109.05 135.08 20.21 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 121.68 6.7 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -159.6 -142.51 3.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.429 ' CG2' ' O ' ' A' ' 78' ' ' THR . 8.7 t -145.15 94.85 2.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 110.442 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.764 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 58.0 m-85 -87.66 132.23 34.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 111.019 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.4 m -119.87 114.58 22.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.429 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.576 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 27.3 p90 -117.42 145.5 44.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.036 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.438 ' OH ' ' CB ' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -144.95 -179.76 6.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.421 ' SG ' ' ND1' ' A' ' 86' ' ' HIS . 0.5 OUTLIER -79.78 119.66 22.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 108.214 -179.889 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.507 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -49.2 -51.09 59.86 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -75.01 -49.17 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.801 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.421 ' ND1' ' SG ' ' A' ' 83' ' ' CYS . 0.2 OUTLIER -90.96 46.17 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.58 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -62.94 -59.06 5.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.57 64.5 0.27 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.0 -49.64 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.615 0.832 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 153.21 43.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.555 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -145.67 99.2 3.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 110.991 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' A' ' 93' ' ' GLY . 57.9 t -143.62 167.98 12.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.407 ' N ' ' CG1' ' A' ' 92' ' ' VAL . . . -149.8 164.32 29.51 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.473 1.108 . . . . 0.0 111.069 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -142.79 149.08 38.19 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.582 0.813 . . . . 0.0 109.295 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.529 HG12 ' CZ ' ' A' ' 73' ' ' PHE . 59.2 t -135.14 126.5 46.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.7 t -109.72 130.14 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.075 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.588 ' CG2' ' CD2' ' A' ' 73' ' ' PHE . 98.1 t -127.26 147.02 32.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.375 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 -179.969 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.418 ' HB1' ' CG2' ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.2 m -135.72 142.43 45.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.59 1.181 . . . . 0.0 110.384 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.482 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 22.1 t -144.67 136.35 21.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 7' ' ' MET . 10.3 mttt -123.54 104.25 8.93 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.443 1.089 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.42 ' O ' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -45.78 174.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 37.38 -136.47 0.73 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.65 154.88 21.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.752 . . . . 0.0 109.986 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.1 67.41 6.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 t -165.06 -69.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.97 40.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.3 129.25 17.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.782 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.405 HD13 ' CG ' ' A' ' 86' ' ' HIS . 1.6 pp -90.91 99.11 12.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.6 m -144.05 160.58 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.564 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 22.4 m-85 -95.85 119.1 33.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.438 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 9.7 tm-20 -145.36 126.81 7.67 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.472 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.2 Cg_endo -74.96 132.71 28.46 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.043 -2.482 . . . . 0.0 111.021 -0.073 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.409 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 98.2 p -56.85 -28.95 62.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.4 m -128.39 124.66 36.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.383 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.472 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -141.81 137.65 31.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.6 t -139.86 139.45 36.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 0.0 110.423 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 27' ' ' GLU . 4.1 pt -134.04 -177.39 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.223 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -73.24 -179.87 3.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 98' ' ' ASP . . . -100.08 106.85 18.63 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.04 -10.35 7.0 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.577 1.173 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -86.11 -179.41 6.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 0.731 . . . . 0.0 110.335 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -123.91 179.27 4.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.248 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -144.72 148.18 18.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -121.76 153.66 37.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.574 ' CD1' HD11 ' A' ' 41' ' ' ILE . 1.9 m-90 -123.92 164.62 18.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 108.034 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.415 ' O ' ' SD ' ' A' ' 7' ' ' MET . 92.7 t -135.84 134.81 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.377 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -74.24 130.57 39.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -119.33 -170.31 1.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.456 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -78.75 177.1 8.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.604 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.2 OUTLIER 72.6 66.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.516 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -98.04 162.78 21.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 0.0 110.03 179.946 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.59 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.2 Cg_endo -74.94 161.25 95.19 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 121.044 -2.482 . . . . 0.0 111.025 -0.053 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -141.09 107.16 5.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.635 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.47 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 11.5 p-10 -112.47 162.84 15.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 0.0 109.354 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.574 HD11 ' CD1' ' A' ' 31' ' ' TRP . 63.3 mt -125.04 98.54 5.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.504 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -109.87 122.96 65.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.591 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -97.12 101.1 12.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 110.975 -179.952 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . . . -77.39 108.68 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.16 96.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.342 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 44' ' ' ALA . 54.6 t0 -119.31 74.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.58 -32.15 6.21 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.9 p -89.64 179.53 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.547 0.793 . . . . 0.0 109.261 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.65 158.46 33.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -70.86 -70.08 0.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.105 . . . . 0.0 109.25 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.84 -34.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.492 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 9.2 m -69.0 -51.65 37.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -73.29 -9.62 58.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -74.18 -44.06 54.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.58 -53.98 5.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.474 HD23 ' CD2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -48.14 -30.03 4.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.8 p -74.86 156.92 35.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.069 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.492 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 73.1 m-70 -128.44 107.54 9.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.62 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.504 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -111.44 39.5 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -97.28 -29.72 7.77 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.436 1.085 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 3.3 mm? 67.92 114.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -100.49 129.33 46.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 12.0 m-30 -123.22 -38.76 2.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.5 138.5 41.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.54 89.55 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.94 48.77 0.04 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.437 1.086 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.39 101.13 6.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 m -97.43 153.08 18.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.923 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.492 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 21.5 m-30 -126.06 167.65 15.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.5 m -135.21 151.12 50.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.0 p -142.14 147.03 36.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.03 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 48.8 m -98.91 120.34 39.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.402 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.641 ' CD2' ' CG2' ' A' ' 97' ' ' VAL . 3.5 m-30 -107.52 57.98 0.62 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 p -79.2 -66.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.443 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.22 127.73 93.25 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.36 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 107.79 2.56 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.493 1.786 . . . . 0.0 111.035 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.69 -148.13 4.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.8 m -143.59 104.47 4.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 0.808 . . . . 0.0 110.358 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.591 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 44.9 m-85 -94.29 133.41 37.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 111.057 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 36.9 m -115.09 116.73 28.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.394 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.578 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 27.7 p90 -118.2 137.2 53.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.587 1.18 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.499 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -142.21 179.62 6.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 111.04 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.451 ' SG ' ' ND1' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -92.14 126.02 37.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 108.333 179.945 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.473 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 1.6 mt-10 -38.81 -52.95 3.58 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.02 -55.66 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.405 ' CG ' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -87.09 49.69 1.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.667 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.422 ' HG3' ' CD1' ' A' ' 82' ' ' TYR . 3.4 ttt180 -80.54 -53.58 6.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.86 33.78 5.44 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.447 1.092 . . . . 0.0 110.948 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -98.27 -28.23 13.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.583 0.813 . . . . 0.0 109.348 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 140.36 -25.07 2.63 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.564 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -83.99 99.39 10.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 0.778 . . . . 0.0 111.02 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.427 ' CG1' ' N ' ' A' ' 93' ' ' GLY . 87.1 t -145.74 168.39 7.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.427 ' N ' ' CG1' ' A' ' 92' ' ' VAL . . . -136.99 162.59 25.28 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.42 130.6 42.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 0.783 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.578 HG12 ' CZ ' ' A' ' 73' ' ' PHE . 69.0 t -115.31 142.17 29.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.403 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.431 ' N ' HG13 ' A' ' 95' ' ' VAL . 7.5 t -134.87 142.14 41.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.641 ' CG2' ' CD2' ' A' ' 73' ' ' PHE . 77.3 t -128.6 141.71 45.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 25' ' ' ALA . 5.1 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.8 m -145.23 135.76 24.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 110.406 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.476 ' CG2' HG13 ' A' ' 21' ' ' VAL . 86.7 t -136.23 146.09 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.421 ' N ' HG12 ' A' ' 5' ' ' VAL . 2.1 ptpt -102.94 156.07 17.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' VAL . 4.6 mtm -103.94 60.36 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.65 -137.68 7.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.5 p -151.97 137.19 17.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 110.011 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -76.86 65.25 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.96 -70.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.82 42.98 0.03 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.32 169.37 17.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.48 HD13 ' CD2' ' A' ' 86' ' ' HIS . 1.9 pp -122.23 99.65 6.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 m -145.5 146.97 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.152 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -94.1 111.08 22.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.491 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -141.13 134.87 14.8 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.343 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.98 133.05 29.65 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.05 -0.027 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.439 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 89.3 p -58.07 -36.89 73.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.0 m -117.92 125.04 49.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.476 HG13 ' CG2' ' A' ' 5' ' ' VAL . 1.4 m -138.09 131.05 40.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.6 t -129.25 126.7 39.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.433 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.492 HD13 ' CD2' ' A' ' 73' ' ' PHE . 1.2 pt -128.79 -178.27 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -73.97 176.73 6.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.237 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.72 125.93 39.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 106.41 -18.06 39.14 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -78.58 171.71 14.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 110.275 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.2 pm0 -117.3 175.59 5.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 110.267 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.574 HG13 ' CZ3' ' A' ' 31' ' ' TRP . 24.1 t -139.1 145.14 27.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 109.239 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.404 ' N ' HG11 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -108.66 152.72 24.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.574 ' CZ3' HG13 ' A' ' 29' ' ' VAL . 5.8 m-90 -124.11 165.22 17.9 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 7' ' ' MET . 55.9 t -141.78 133.49 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -74.92 164.22 26.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -154.61 -168.34 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -82.72 -178.62 7.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.227 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.605 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 2.8 mm? 69.13 64.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.557 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -92.5 164.82 21.14 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.027 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.61 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.5 Cg_endo -74.98 162.37 92.98 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.072 -2.47 . . . . 0.0 111.031 0.017 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 1.5 m-70 -145.81 104.58 3.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.559 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -116.81 179.43 4.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.575 HD13 ' CE1' ' A' ' 58' ' ' HIS . 5.3 mt -129.5 102.12 7.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.425 ' CG1' ' HG2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -117.11 119.34 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.65 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -97.48 98.77 10.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 0.0 111.033 179.957 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.497 ' CB ' ' OH ' ' A' ' 82' ' ' TYR . . . -75.93 116.06 16.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.74 95.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.343 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.4 m-20 -120.9 73.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.67 -19.52 23.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.433 1.083 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -107.14 176.18 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.559 0.799 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.29 148.96 38.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.86 -38.88 87.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.36 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.35 -58.53 6.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.1 t -56.5 -21.77 28.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.81 -24.37 19.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.9 -47.1 86.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -44.69 34.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.577 ' HG ' ' CE2' ' A' ' 79' ' ' TYR . 1.6 mm? -58.24 -26.45 62.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.3 p -84.38 130.51 34.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.069 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.575 ' CE1' HD13 ' A' ' 41' ' ' ILE . 6.8 p80 -133.66 100.36 4.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 109.591 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 60' ' ' GLY . 0.4 OUTLIER -71.65 -68.35 0.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.474 ' HA3' ' CZ ' ' A' ' 69' ' ' PHE . . . 35.31 91.52 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.516 1.135 . . . . 0.0 111.05 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 4.4 mm? -64.09 92.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.756 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.446 ' O ' ' CD1' ' A' ' 63' ' ' PHE . . . -99.54 128.45 45.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.61 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 12.9 m-85 -138.08 40.0 2.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.77 162.79 29.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.45 74.69 6.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 156.08 44.57 0.02 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.79 130.43 55.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.8 m -140.34 130.09 24.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.038 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.474 ' CZ ' ' HA3' ' A' ' 60' ' ' GLY . 15.4 m-85 -107.98 174.76 5.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.8 m -139.17 156.3 47.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.404 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.6 t -141.47 152.36 44.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.947 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.507 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 2.3 m -102.14 104.0 14.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CD2' HG23 ' A' ' 29' ' ' VAL . 5.4 m-30 -94.0 60.78 2.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.2 p -81.43 -70.27 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.432 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.97 125.15 68.83 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 100.96 1.41 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.452 1.764 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -149.02 -146.51 4.34 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.6 m -145.72 91.96 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 110.384 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.65 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 72.8 m-85 -82.5 141.32 32.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 43.7 m -124.14 112.9 17.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.385 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.611 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 29.8 p90 -115.89 126.66 54.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.497 ' OH ' ' CB ' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -126.47 179.89 5.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.45 ' SG ' ' ND1' ' A' ' 86' ' ' HIS . 0.5 OUTLIER -85.63 146.04 27.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 108.309 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.532 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 1.8 mt-10 -69.3 -49.46 23.4 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.98 -43.23 0.41 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.582 1.833 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.48 ' CD2' HD13 ' A' ' 14' ' ' LEU . 1.4 m80 -96.65 37.14 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.627 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.8 114.85 7.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 69.92 19.25 75.14 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -81.89 -29.45 32.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 0.732 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 151.1 -48.92 0.55 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.479 ' CE ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -76.01 103.04 5.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 111.015 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.46 ' CG2' ' N ' ' A' ' 93' ' ' GLY . 2.3 p -146.43 166.66 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.46 ' N ' ' CG2' ' A' ' 92' ' ' VAL . . . -131.21 157.08 22.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.553 1.158 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -137.9 107.98 6.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.59 0.818 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.527 HG11 ' CE2' ' A' ' 73' ' ' PHE . 25.3 t -80.56 153.92 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.7 t -143.57 100.51 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.172 . . . . 0.0 109.244 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.431 ' CG2' ' HB3' ' A' ' 73' ' ' PHE . 87.0 t -92.3 141.84 13.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.988 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.528 ' CB ' HG22 ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.7 m -91.34 158.17 16.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.483 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.9 t -143.48 120.99 6.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -96.48 135.53 38.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.319 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.415 ' O ' ' C ' ' A' ' 8' ' ' GLY . 39.1 mtm -101.96 177.75 4.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 111.112 179.917 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 7' ' ' MET . . . 36.77 92.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 8' ' ' GLY . 87.2 p -38.27 144.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 110.056 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -73.78 58.77 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 t -147.04 -61.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.991 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.88 42.85 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.24 141.75 28.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.61 98.47 11.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.7 m -147.39 142.21 19.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.225 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.607 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 96.6 m-85 -87.19 123.01 31.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HA ' ' N ' ' A' ' 19' ' ' SER . 2.7 tm-20 -145.25 128.4 8.37 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.508 1.13 . . . . 0.0 110.351 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.46 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.05 129.88 19.83 Favored 'Cis proline' 0 C--N 1.361 1.225 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.022 0.028 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.456 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 1.7 p -55.9 -39.66 71.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.993 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.9 m -117.8 130.02 56.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.396 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.46 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -144.04 136.02 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.1 m -114.29 102.57 10.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.606 ' CD1' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -107.8 170.57 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.227 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.53 173.99 10.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.33 145.51 25.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.2 -15.97 46.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.28 -179.83 4.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -118.72 171.01 8.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.153 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.58 HG12 ' CZ3' ' A' ' 31' ' ' TRP . 25.2 t -138.65 121.75 19.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.68 153.01 19.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.58 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 1.6 m-90 -128.19 116.71 20.32 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.8 t -90.03 124.54 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -78.82 150.29 32.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -144.73 -152.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -74.75 -179.28 4.07 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 68.06 46.35 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.507 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -92.49 161.96 30.99 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.464 1.103 . . . . 0.0 109.996 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.507 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.93 158.26 99.09 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.022 -0.08 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.542 ' CE1' ' HE3' ' A' ' 91' ' ' MET . 0.5 OUTLIER -129.92 100.02 5.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.605 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -88.37 177.43 6.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.577 HD12 ' CD1' ' A' ' 31' ' ' TRP . 5.7 mt -145.15 99.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.245 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.468 ' CG1' ' HG2' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -115.61 120.83 65.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.61 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -92.56 99.93 12.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 111.03 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.572 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . . . -75.74 114.17 14.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.78 95.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 44' ' ' ALA . 7.3 m-20 -118.67 81.23 1.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.66 -34.91 5.34 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -89.75 -179.83 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.94 147.95 40.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.67 -69.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 109.331 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -40.55 -38.16 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.491 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 3.1 m -62.53 -68.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.411 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -51.78 -22.25 3.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.06 -50.88 66.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -63.73 -35.95 82.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.4 mp -77.86 -19.65 54.44 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 53' ' ' ALA . 4.2 m -74.84 126.16 30.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.026 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.566 ' CE1' ' O ' ' A' ' 70' ' ' THR . 89.6 m-70 -107.88 101.38 10.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.468 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 9.7 mttt -97.24 31.29 2.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -84.12 -148.79 9.22 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.68 ' CD1' ' CD1' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -143.3 164.97 28.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 0.792 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -137.53 98.67 3.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.68 ' CD1' ' CD1' ' A' ' 61' ' ' LEU . 2.1 m-85 -132.08 33.32 3.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.092 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.9 139.9 27.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.43 88.13 6.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.82 -19.47 1.12 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.593 1.183 . . . . 0.0 111.033 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.44 156.27 35.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.771 . . . . 0.0 110.289 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 35.8 m -145.46 -179.64 6.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.419 1.074 . . . . 0.0 109.965 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.582 ' CD1' ' N ' ' A' ' 69' ' ' PHE . 0.2 OUTLIER -130.86 134.82 47.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.566 ' O ' ' CE1' ' A' ' 58' ' ' HIS . 2.3 m -112.29 145.67 39.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.447 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.6 p -132.1 159.86 37.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.075 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.5 m -110.7 114.59 28.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.606 ' CD2' ' CD1' ' A' ' 23' ' ' ILE . 6.1 m-30 -93.8 43.36 1.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 m -50.62 -67.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.373 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.19 128.18 63.42 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 147.84 34.3 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 171.38 -150.19 13.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.543 1.152 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 m -132.4 93.84 3.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 110.41 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.61 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 87.3 m-85 -91.23 137.03 32.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.2 m -114.84 115.39 26.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.386 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.581 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 33.1 p90 -114.69 139.45 49.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -144.51 179.82 7.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 111.023 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 1.22 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 12.7 m -78.75 131.68 36.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.328 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.552 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -61.82 -48.85 88.28 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.28 -179.968 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.97 -43.63 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.793 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -93.29 42.22 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.6 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -83.65 50.03 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 155.68 56.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.108 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.44 -49.81 0.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 0.766 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 149.83 43.91 0.03 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 1.22 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.2 OUTLIER -145.42 99.65 3.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.737 . . . . 0.0 110.958 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.418 ' CG1' ' N ' ' A' ' 93' ' ' GLY . 58.1 t -146.9 168.94 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.518 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -135.43 172.75 22.02 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.16 116.21 8.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 0.812 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.576 ' CG1' ' CZ ' ' A' ' 73' ' ' PHE . 77.4 t -104.03 138.83 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.401 ' N ' HG12 ' A' ' 95' ' ' VAL . 3.3 t -130.87 112.98 23.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.506 HG21 ' CD2' ' A' ' 73' ' ' PHE . 99.3 t -90.21 143.42 11.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.404 ' N ' HG13 ' A' ' 97' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.459 ' HB1' ' CG2' ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.3 m -133.59 141.27 47.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.389 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.569 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 9.1 t -139.57 148.33 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 8' ' ' GLY . 12.4 mttt -128.33 121.98 30.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.42 61.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 111.044 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 6' ' ' LYS . . . 126.46 -164.35 20.06 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.14 162.71 20.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 0.767 . . . . 0.0 109.958 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -90.56 38.87 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.32 -74.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.08 . . . . 0.0 109.993 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.92 43.77 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.46 100.98 4.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.489 HD22 ' CE1' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -74.68 100.08 3.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 m -145.19 173.22 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.585 ' CE2' ' HE3' ' A' ' 91' ' ' MET . 1.9 m-85 -108.27 106.45 16.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.497 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -141.5 133.84 13.93 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.391 1.057 . . . . 0.0 110.298 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -75.06 134.4 35.74 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.958 -2.518 . . . . 0.0 110.995 0.043 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.416 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 1.7 t -61.72 -22.41 65.34 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.486 1.116 . . . . 0.0 110.069 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -140.19 118.98 12.45 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.427 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 1.1 m -118.15 149.72 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.9 m -136.1 126.72 27.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.459 ' CG2' ' HB1' ' A' ' 3' ' ' ALA . 1.1 pp -142.35 179.97 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.7 mmtt -77.92 177.68 8.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.55 91.76 5.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.58 1.175 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.06 -18.23 2.14 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.482 1.113 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.04 171.32 14.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 0.734 . . . . 0.0 110.226 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 29' ' ' VAL . 0.7 OUTLIER -118.82 142.16 47.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.327 179.975 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.412 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 80.5 t -109.1 144.3 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -115.63 152.96 32.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.377 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.576 ' CD1' HD12 ' A' ' 41' ' ' ILE . 7.1 m-90 -120.57 169.55 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.9 t -135.32 126.39 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.253 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -74.34 152.49 39.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -136.07 -156.02 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -103.3 -179.17 3.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.353 179.947 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.453 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 1.2 mp 76.57 40.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.6 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -68.18 165.91 29.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.947 -179.98 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.6 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.98 160.09 97.06 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.968 -0.036 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.571 ' CE1' ' CE1' ' A' ' 86' ' ' HIS . 13.0 m-70 -145.83 122.99 11.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.62 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.464 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 4.9 p-10 -136.84 161.35 36.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.576 HD12 ' CD1' ' A' ' 31' ' ' TRP . 3.6 mt -116.86 98.75 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.922 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -101.63 130.6 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 2.2 m-85 -97.45 101.94 13.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.498 ' HB1' ' CZ ' ' A' ' 82' ' ' TYR . . . -81.32 103.26 10.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' ALA . . . -39.72 97.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' ALA . 10.3 m-20 -125.45 77.02 1.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.4 -32.93 5.2 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.495 HG23 ' CZ ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -92.67 -178.74 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.261 -179.951 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.4 ' N ' ' CG1' ' A' ' 48' ' ' VAL . 0.9 OUTLIER -74.31 169.57 17.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.44 -70.54 0.44 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.2 -37.71 10.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.509 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 3.4 m -59.29 -60.46 3.83 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.494 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . . . -63.82 -20.63 65.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.45 -54.35 44.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -65.38 -37.1 85.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.604 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -77.96 -7.17 56.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.575 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -85.48 115.94 23.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.919 -179.914 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.732 ' CE1' ' CD1' ' A' ' 69' ' ' PHE . 4.3 m-70 -91.16 98.66 11.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.619 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -103.19 27.17 7.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.71 132.08 10.81 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 5.1 mp -82.01 134.17 35.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -131.59 111.85 12.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 7.5 m-85 -124.98 50.55 1.74 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 111.044 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.37 145.14 36.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.73 62.16 5.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.177 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.35 42.02 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.55 1.156 . . . . 0.0 111.037 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -115.85 128.53 55.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 0.0 110.335 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 75.0 m -130.93 129.78 42.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.075 . . . . 0.0 109.966 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.732 ' CD1' ' CE1' ' A' ' 58' ' ' HIS . 1.0 OUTLIER -97.73 167.94 10.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 111.032 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.429 ' O ' ' NE2' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -140.31 138.84 35.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 -179.969 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.424 ' HB3' ' CZ3' ' A' ' 31' ' ' TRP . 1.5 t -138.35 127.95 24.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.496 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 20.3 m -76.2 125.01 28.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.575 ' CZ ' HG12 ' A' ' 95' ' ' VAL . 3.9 m-30 -104.13 44.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 m -64.32 -65.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.388 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.91 123.9 88.21 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.581 1.176 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 134.85 18.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.446 1.761 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 168.74 -163.54 37.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.533 1.145 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 88.6 m -115.03 116.08 27.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 0.721 . . . . 0.0 110.412 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.509 ' OH ' ' CG2' ' A' ' 52' ' ' THR . 76.4 m-85 -107.51 96.55 6.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.4 m -80.81 111.88 17.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.367 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.535 ' CE1' HG23 ' A' ' 95' ' ' VAL . 31.6 p90 -118.53 136.59 53.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.498 ' CZ ' ' HB1' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -141.54 -179.55 6.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.627 1.205 . . . . 0.0 110.973 179.967 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.459 ' SG ' ' ND1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER -85.52 155.51 21.17 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.514 1.133 . . . . 0.0 108.249 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.472 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 2.3 mt-10 -79.29 -55.81 0.87 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.1 . . . . 0.0 110.284 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.472 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.99 -25.81 11.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.55 1.816 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.571 ' CE1' ' CE1' ' A' ' 39' ' ' HIS . 8.3 m80 -110.67 27.45 9.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.614 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.426 ' HG3' ' CD1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -67.24 70.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 86' ' ' HIS . . . 121.82 38.59 0.61 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.103 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -110.52 29.28 7.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 0.789 . . . . 0.0 109.376 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 89.39 -14.14 61.89 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.585 ' HE3' ' CE2' ' A' ' 16' ' ' PHE . 9.5 ptm -107.32 120.54 42.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.425 ' CG1' ' N ' ' A' ' 93' ' ' GLY . 84.3 t -146.81 167.86 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.363 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.52 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -131.14 146.83 18.18 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.515 1.134 . . . . 0.0 111.045 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -138.76 98.58 3.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.575 HG12 ' CZ ' ' A' ' 73' ' ' PHE . 2.3 t -79.25 154.57 4.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.23 -179.906 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.0 t -144.55 120.81 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.522 HG21 ' CD2' ' A' ' 73' ' ' PHE . 21.5 t -111.74 140.81 29.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.6 t0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.991 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.7 m -78.43 126.99 31.55 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.377 1.048 . . . . 0.0 110.457 179.925 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 88.3 t -143.91 101.84 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 143.34 34.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -71.37 -55.82 7.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.15 -133.21 7.9 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.469 1.106 . . . . 0.0 111.031 179.933 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -150.57 150.11 30.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.743 . . . . 0.0 109.982 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.84 66.15 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.906 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.09 -74.06 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.49 41.26 0.02 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.471 ' CA ' HD12 ' A' ' 36' ' ' LEU . . . -145.64 125.81 13.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.555 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -74.23 98.48 3.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.7 m -137.74 132.15 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.572 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 35.6 m-85 -80.88 116.08 20.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 1.09 . . . . 0.0 110.969 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 4.7 tt0 -145.15 131.1 9.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.464 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -75.02 131.82 25.51 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 121.043 -2.482 . . . . 0.0 111.015 0.025 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.444 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 66.5 p -52.13 -37.13 53.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -124.93 128.4 48.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -131.8 148.13 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.0 m -136.87 100.74 4.39 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.611 1.194 . . . . 0.0 110.372 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.467 HD12 ' CB ' ' A' ' 73' ' ' PHE . 1.1 pt -110.05 -179.66 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -75.68 174.76 9.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.27 120.04 34.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.85 -24.61 8.85 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.459 1.1 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.02 177.42 6.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.774 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.38 170.1 11.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.38 179.936 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.51 HG22 ' CE2' ' A' ' 73' ' ' PHE . 4.1 t -131.62 130.63 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 ttpp -97.17 158.25 15.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.496 ' O ' ' CB ' ' A' ' 68' ' ' SER . 4.4 m-90 -125.16 155.72 39.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 107.968 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.8 t -142.14 112.97 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -74.96 149.42 39.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -123.31 -77.42 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -145.26 -179.73 6.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.481 ' CD1' HD13 ' A' ' 14' ' ' LEU . 0.7 OUTLIER 65.03 65.57 0.59 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.558 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -95.89 164.14 19.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.0 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.571 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.2 Cg_endo -74.97 164.21 88.93 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.955 -2.519 . . . . 0.0 110.984 -0.077 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -136.36 99.9 4.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.622 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.8 OUTLIER -110.11 165.99 11.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.244 -179.954 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.1 mp -120.55 101.47 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.162 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -108.4 119.04 57.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.613 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -98.01 107.56 20.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 111.003 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -86.36 114.22 22.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.35 96.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.7 OUTLIER -125.28 62.97 1.17 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 -179.962 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.18 -19.56 6.79 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.583 HG13 ' CD2' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -110.33 177.31 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.51 135.87 39.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -55.25 -45.93 76.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.9 -58.35 8.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.488 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -55.89 -33.95 65.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.413 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -77.27 -21.45 53.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -64.45 -43.32 94.62 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -71.98 -37.98 69.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.092 . . . . 0.0 109.365 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 72' ' ' THR . 0.6 OUTLIER -75.02 -20.75 59.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.949 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -74.08 137.72 43.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 0.0 109.982 -179.949 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.774 ' CE1' ' CD1' ' A' ' 69' ' ' PHE . 3.2 m-70 -122.83 99.84 6.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.592 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.47 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 0.5 OUTLIER -102.19 48.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.75 169.14 15.73 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.461 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 1.4 mm? -105.19 120.91 42.7 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.545 0.791 . . . . 0.0 109.243 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -111.58 107.99 17.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 7.1 m-85 -121.88 -43.01 2.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.59 110.73 13.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.583 1.177 . . . . 0.0 109.284 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.97 98.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 163.22 -27.22 0.23 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -74.37 114.61 12.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 110.354 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 2.3 p -111.95 121.01 43.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.572 1.17 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.774 ' CD1' ' CE1' ' A' ' 58' ' ' HIS . 1.3 m-85 -82.37 177.0 8.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.0 m -145.21 155.54 43.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.354 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.433 ' OG ' ' CD2' ' A' ' 56' ' ' LEU . 15.9 t -139.21 139.75 37.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.011 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.501 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 27.1 m -91.04 111.21 22.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.443 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.51 ' CE2' HG22 ' A' ' 29' ' ' VAL . 4.3 m-30 -95.97 41.57 1.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -67.54 -63.44 1.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.26 119.42 45.83 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.362 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 107.1 2.41 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.535 1.808 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.37 -141.15 3.06 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.452 ' CG2' ' O ' ' A' ' 78' ' ' THR . 15.3 t -145.32 103.33 3.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 0.73 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.613 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 92.9 m-85 -96.86 137.54 35.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.4 m -116.54 116.06 26.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.595 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 28.0 p90 -118.45 137.03 53.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 111.063 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -135.71 178.67 6.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' ARG . 0.1 OUTLIER -77.96 127.7 32.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 108.26 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.536 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -61.75 -49.3 86.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.947 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.0 Cg_endo -75.07 -36.0 2.77 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.459 1.768 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -105.4 36.47 2.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.617 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' CYS . 3.9 ppt_? -68.8 -12.33 61.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 110.261 -179.912 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -140.49 54.87 0.64 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.4 -46.33 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 0.82 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 142.59 45.54 0.05 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.572 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 2.2 ttt -145.09 103.6 3.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 16.7 m -145.79 178.35 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -157.98 156.52 27.42 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.58 1.175 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -119.35 169.54 9.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.509 HG11 ' CE2' ' A' ' 73' ' ' PHE . 45.7 t -145.0 145.41 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.7 t -140.86 103.1 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.49 HG22 ' CD2' ' A' ' 73' ' ' PHE . 59.3 t -92.77 141.17 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.551 ' CB ' ' CG2' ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.1 m -137.15 126.33 24.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.362 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.471 ' CG2' HG11 ' A' ' 21' ' ' VAL . 48.9 t -137.33 160.78 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.444 ' CG ' ' HB ' ' A' ' 32' ' ' VAL . 8.5 mttt -127.9 154.32 45.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.5 ptp -94.1 28.37 2.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . 175.96 -136.56 3.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.451 1.094 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.98 157.05 41.21 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.45 0.735 . . . . 0.0 109.973 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.56 70.72 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.68 -70.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.977 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.54 44.02 0.02 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.0 130.12 18.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 0.715 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 pp -74.93 101.02 4.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.4 m -137.73 172.95 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.607 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 21.9 m-85 -123.72 111.06 15.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 19.7 tt0 -145.61 135.14 11.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 110.33 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -74.95 136.91 47.38 Favored 'Cis proline' 0 C--N 1.359 1.097 0 C-N-CA 121.047 -2.48 . . . . 0.0 110.971 0.04 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.0 p -62.22 -25.1 67.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.03 127.91 33.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.365 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.471 HG11 ' CG2' ' A' ' 5' ' ' VAL . 1.0 OUTLIER -135.02 137.67 50.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.935 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.8 m -128.11 112.33 14.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.416 1.072 . . . . 0.0 110.393 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.551 ' CG2' ' CB ' ' A' ' 3' ' ' ALA . 1.2 pp -117.16 -179.99 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' CD1' ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.73 169.06 18.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.72 143.95 28.07 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.193 -179.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.02 9.18 86.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 0.0 110.954 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.35 -179.65 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 110.333 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -127.59 148.61 50.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.547 HG11 ' CZ3' ' A' ' 31' ' ' TRP . 39.8 t -117.18 149.57 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.9 141.27 52.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.547 ' CZ3' HG11 ' A' ' 29' ' ' VAL . 5.7 m-90 -107.31 179.76 4.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 107.954 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 5' ' ' VAL . 4.9 t -137.34 156.7 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -91.11 155.44 18.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 8' ' ' GLY . 22.2 m120 -147.15 -179.42 6.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.175 . . . . 0.0 109.333 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -81.19 179.57 7.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 76.85 61.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.497 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -91.8 161.6 33.34 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 110.03 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.59 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.5 Cg_endo -74.91 159.57 97.78 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.037 -0.054 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.452 ' ND1' ' SG ' ' A' ' 83' ' ' CYS . 0.3 OUTLIER -137.36 117.67 13.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.56 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -112.3 175.26 5.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.8 mt -145.37 107.3 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.8 p -137.32 120.58 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.615 ' CE1' ' CB ' ' A' ' 81' ' ' TYR . 3.7 m-30 -84.86 158.16 20.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.489 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . . . -120.11 141.08 50.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.73 82.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.436 ' O ' ' CG2' ' A' ' 78' ' ' THR . 1.0 OUTLIER -111.0 78.24 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.49 -26.52 19.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.434 HG11 ' CE2' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -95.79 -179.49 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.528 0.781 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.77 150.23 36.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.14 -70.33 0.23 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.68 -32.99 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.499 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 3.1 m -67.21 -77.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -41.07 -38.78 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.37 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.62 -70.58 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -37.5 72.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.575 HD21 ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -62.57 -19.39 63.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 53' ' ' ALA . 4.2 m -88.07 125.41 34.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.026 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.455 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 82.1 m-70 -82.76 101.29 10.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.56 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -92.1 57.37 3.07 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -134.43 179.8 17.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 3.2 mm? -121.72 130.66 53.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.396 0.703 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -124.89 107.87 11.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 12.3 m-85 -125.09 51.4 1.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.606 1.191 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.18 140.26 29.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.68 59.84 3.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.073 . . . . 0.0 109.262 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 169.03 40.05 0.03 OUTLIER Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -117.84 133.7 55.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 110.34 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.0 m -137.04 131.99 33.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.455 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 1.3 m-85 -100.03 171.55 7.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.447 ' O ' ' CE1' ' A' ' 58' ' ' HIS . 1.2 p -135.55 136.81 41.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.408 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.5 t -123.51 146.11 48.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.933 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -88.66 114.4 25.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.399 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.686 ' CD2' ' CG2' ' A' ' 97' ' ' VAL . 3.2 m-85 -104.3 62.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 111.045 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.48 -55.63 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.412 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -77.76 123.92 86.44 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.254 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 100.38 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.431 1.753 . . . . 0.0 111.035 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -152.41 -139.43 2.92 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 -179.878 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.436 ' CG2' ' O ' ' A' ' 46' ' ' ASP . 14.6 t -145.53 128.42 16.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 0.794 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.575 ' CE2' HD21 ' A' ' 56' ' ' LEU . 91.1 m-85 -120.59 102.9 8.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.1 p -74.04 100.62 3.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.412 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.615 ' CB ' ' CE1' ' A' ' 43' ' ' PHE . 50.8 p90 -95.24 131.33 41.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.489 ' CE2' ' HB3' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -145.15 -179.73 6.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.984 -179.939 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.452 ' SG ' ' ND1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER -82.03 119.09 23.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 108.35 179.92 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.523 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -44.62 -49.87 25.31 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 110.32 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.6 Cg_endo -74.97 -50.07 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.46 1.768 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -87.57 45.22 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.615 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.62 4.73 39.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -157.6 61.76 0.32 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -144.87 -54.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.77 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 159.58 42.08 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.607 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -145.92 99.71 3.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 0.722 . . . . 0.0 111.041 179.97 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 93' ' ' GLY . 73.0 t -145.86 167.27 8.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.417 1.073 . . . . 0.0 109.283 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.524 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -137.36 177.84 19.51 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.27 119.68 9.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 0.753 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.57 ' CG1' ' CZ ' ' A' ' 73' ' ' PHE . 40.2 t -99.73 151.1 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.1 t -142.08 130.87 22.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.228 -179.948 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.686 ' CG2' ' CD2' ' A' ' 73' ' ' PHE . 54.6 t -116.94 142.29 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.6 t0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.954 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.474 ' CB ' ' CG2' ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.9 m -130.24 129.88 43.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.345 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.573 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 81.4 t -132.83 156.36 42.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.77 126.29 43.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.417 ' CG ' ' HA ' ' A' ' 33' ' ' ASN . 9.9 ptp -77.68 53.3 1.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 9' ' ' SER . . . 135.65 134.91 3.39 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 8' ' ' GLY . 0.4 OUTLIER -41.42 162.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.769 . . . . 0.0 110.039 179.945 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -74.24 69.33 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.0 t 71.24 96.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.579 1.174 . . . . 0.0 109.971 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.11 -73.93 0.09 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.21 162.52 36.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.477 ' CD1' ' SD ' ' A' ' 91' ' ' MET . 0.5 OUTLIER -82.38 100.1 9.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.4 m -143.61 134.34 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.51 ' CE2' ' HG3' ' A' ' 91' ' ' MET . 29.4 m-85 -76.48 120.59 21.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.482 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.4 tp10 -143.05 131.06 11.17 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -74.93 135.23 39.51 Favored 'Cis proline' 0 C--N 1.359 1.109 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.004 -0.068 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.9 p -53.16 -31.25 41.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.025 179.924 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.2 m -130.69 114.84 15.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.436 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.469 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -119.16 134.7 61.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.6 m -133.24 108.89 9.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.573 HD12 ' CD2' ' A' ' 73' ' ' PHE . 6.1 pt -114.38 -179.87 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -75.02 179.27 5.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.443 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . . . -96.78 90.8 5.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.63 -16.73 2.23 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.407 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 0.5 OUTLIER -76.34 175.67 8.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.296 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.484 ' OE2' ' CG2' ' A' ' 72' ' ' THR . 1.9 mp0 -116.59 178.01 4.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.438 ' CG2' ' CE2' ' A' ' 73' ' ' PHE . 22.3 t -138.06 109.38 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -90.63 123.99 34.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.362 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.573 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 1.4 m-90 -96.71 169.33 9.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 107.942 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 t -145.56 131.46 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.417 ' HA ' ' CG ' ' A' ' 7' ' ' MET . 49.6 t30 -74.72 140.2 43.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 179.946 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.09 -158.98 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -76.69 -179.54 5.4 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 72.14 23.23 3.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.552 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -76.94 164.57 58.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.088 179.966 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.557 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.2 Cg_endo -75.03 160.64 96.23 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 120.98 -2.509 . . . . 0.0 111.041 0.047 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.45 ' ND1' ' SG ' ' A' ' 83' ' ' CYS . 3.1 m-70 -131.73 156.1 46.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 0.0 109.637 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 60' ' ' GLY . 3.5 m-20 -135.85 169.7 17.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.389 1.056 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.8 mt -141.91 99.31 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.91 130.57 66.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.601 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -104.13 100.81 10.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.98 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.555 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . . . -77.19 129.74 36.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.87 91.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 44' ' ' ALA . 3.8 m-20 -121.04 85.1 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.91 -20.01 52.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.573 HG13 ' CD1' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -111.56 -178.79 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.503 0.767 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -74.14 166.87 22.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.04 -57.93 3.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.83 -62.75 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.495 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 20.6 m -45.76 -52.16 11.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.381 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 57' ' ' SER . . . -53.33 -41.51 65.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.07 0.47 24.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 52' ' ' THR . 0.3 OUTLIER -82.11 -50.26 9.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.493 ' H ' ' CD2' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -90.01 -1.85 58.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.39 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.452 ' HB3' ' O ' ' A' ' 53' ' ' ALA . 37.4 p -72.24 166.13 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.96 -179.943 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 92.1 m-70 -145.3 99.65 3.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.623 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -97.43 47.44 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.418 ' O ' ' ND2' ' A' ' 40' ' ' ASN . . . -106.72 -142.05 10.52 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.7 mt -149.28 168.96 21.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 0.716 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.93 102.8 4.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 6.1 m-85 -118.34 -48.47 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.1 132.73 36.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.16 89.53 4.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.03 -28.44 0.2 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.569 1.168 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -74.69 133.14 42.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 0.795 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.9 172.42 12.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.578 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 22.4 m-30 -123.82 165.71 16.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 110.95 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.533 ' O ' ' CE1' ' A' ' 58' ' ' HIS . 12.0 m -136.8 151.35 49.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.398 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.571 ' OG ' ' CZ3' ' A' ' 31' ' ' TRP . 2.5 p -143.9 155.88 44.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.405 1.066 . . . . 0.0 109.954 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.484 ' CG2' ' OE2' ' A' ' 28' ' ' GLU . 25.2 m -114.92 115.99 27.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 110.416 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.575 ' CE2' HG11 ' A' ' 95' ' ' VAL . 6.9 m-30 -99.02 66.83 1.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.462 ' CG2' ' N ' ' A' ' 75' ' ' GLU . 0.4 OUTLIER -86.68 -53.49 4.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.469 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.462 ' N ' ' CG2' ' A' ' 74' ' ' THR . 1.2 tp10 -65.75 119.6 61.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 101.23 1.45 Allowed 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.546 1.814 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.69 -145.11 4.07 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.8 m -141.24 110.66 6.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 0.772 . . . . 0.0 110.426 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.601 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 90.5 m-85 -109.22 138.17 45.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 m -121.41 110.43 16.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.177 . . . . 0.0 110.39 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.578 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 41.5 p90 -107.29 130.52 54.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -131.67 -179.55 5.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 179.961 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.45 ' SG ' ' ND1' ' A' ' 39' ' ' HIS . 1.3 t -81.42 135.68 35.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 108.324 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.465 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -62.07 -55.42 41.03 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 110.29 -179.949 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.465 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -75.0 -41.4 0.66 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.484 1.781 . . . . 0.0 111.028 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.426 ' ND1' ' SG ' ' A' ' 83' ' ' CYS . 1.1 m170 -96.26 37.4 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.585 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.41 ' CA ' ' O ' ' A' ' 83' ' ' CYS . 7.7 tmm_? -68.61 102.06 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.05 21.57 56.95 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.495 1.122 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.36 -23.03 50.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 148.5 -29.14 1.32 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.595 1.185 . . . . 0.0 110.994 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.51 ' HG3' ' CE2' ' A' ' 16' ' ' PHE . 14.8 ptm -103.38 122.25 44.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.78 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 93' ' ' GLY . 54.6 t -145.97 165.87 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.491 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -123.99 150.8 17.02 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 tttp -134.32 103.38 5.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 109.255 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.575 HG11 ' CE2' ' A' ' 73' ' ' PHE . 3.0 t -90.93 147.34 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.353 179.917 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.1 t -144.58 116.34 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.443 ' CG1' ' HA ' ' A' ' 25' ' ' ALA . 37.4 t -98.2 144.34 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.454 ' CB ' HG23 ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 27.4 m -84.4 128.31 34.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.436 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.606 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 79.8 t -139.9 100.27 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.0 143.91 45.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -80.42 -63.13 1.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.431 ' HA3' ' CB ' ' A' ' 34' ' ' ASN . . . -88.75 -152.92 26.18 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.424 1.077 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 13' ' ' ALA . 31.1 p -121.73 158.81 27.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.978 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -88.08 66.94 8.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.0 t -176.39 -69.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.3 44.44 0.04 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.438 1.086 . . . . 0.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -143.03 129.73 20.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 0.744 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.71 100.69 11.04 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -145.27 131.47 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.221 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.498 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 41.9 m-85 -82.07 116.76 21.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.946 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.452 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.8 tt0 -142.75 130.18 11.08 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.94 132.62 28.15 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.032 -0.096 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.431 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 99.8 p -54.7 -36.47 64.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.005 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.1 m -123.28 121.8 36.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.423 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.428 HG12 ' CG2' ' A' ' 5' ' ' VAL . 1.0 OUTLIER -124.74 144.83 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 m -132.96 100.42 4.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.454 HG23 ' CB ' ' A' ' 3' ' ' ALA . 1.1 pt -111.86 -179.7 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.928 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -80.54 176.26 9.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.73 134.14 35.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.21 -20.9 45.34 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.97 179.67 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 110.263 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -121.64 178.48 4.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.583 1.177 . . . . 0.0 110.342 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.563 HG23 ' CE2' ' A' ' 73' ' ' PHE . 3.0 t -143.65 116.5 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 109.36 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -82.13 161.03 22.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.606 ' CD1' ' O ' ' A' ' 5' ' ' VAL . 2.4 m-90 -127.49 175.12 8.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 107.964 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.2 t -136.22 131.69 49.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 64' ' ' ALA . 0.5 OUTLIER -75.96 128.04 34.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.431 ' CB ' ' HA3' ' A' ' 8' ' ' GLY . 10.9 m120 -120.42 176.97 5.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.443 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.4 OUTLIER -81.53 174.71 11.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 -179.937 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 mt 80.02 70.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.109 . . . . 0.0 109.371 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.507 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -85.43 161.99 49.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 -179.935 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.587 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.3 Cg_endo -74.96 159.77 97.52 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.046 -2.481 . . . . 0.0 110.999 -0.06 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.443 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 0.7 OUTLIER -139.44 108.78 6.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.543 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.42 ' ND2' ' HB2' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -135.67 177.06 8.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.933 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.534 ' HB ' ' CE1' ' A' ' 58' ' ' HIS . 3.8 mp -122.86 102.58 11.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.26 107.83 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.628 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -87.66 109.46 19.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.087 179.927 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.525 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . . . -86.26 112.11 21.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.173 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.11 96.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 1.128 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 44' ' ' ALA . 14.4 p-10 -119.7 73.34 0.96 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.28 -32.01 6.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.599 HG12 ' CD1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -88.8 -179.33 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.77 . . . . 0.0 109.347 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -74.22 170.14 16.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.11 -64.39 1.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.338 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -46.73 -44.8 19.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 179.975 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.496 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 87.3 m -56.72 -56.85 16.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.38 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.28 -22.79 63.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 51' ' ' ASP . . . -58.19 -70.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -57.77 -38.62 75.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.258 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.53 HD13 ' CE1' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -54.3 -36.76 64.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.949 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 77.0 p -79.89 132.1 36.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.997 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.534 ' CE1' ' HB ' ' A' ' 41' ' ' ILE . 7.3 p80 -133.23 99.61 4.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.604 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.75 -82.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 109.327 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.55 -51.11 3.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.1 mm? 68.12 53.51 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.11 135.52 33.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.587 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 7.9 m-85 -126.15 32.47 5.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.446 ' O ' ' ND2' ' A' ' 33' ' ' ASN . . . -120.24 -179.14 3.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -119.71 93.39 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.35 -32.28 0.54 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -74.58 117.91 16.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 0.724 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.7 m -115.47 158.44 22.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.968 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.411 ' HB3' ' ND1' ' A' ' 58' ' ' HIS . 26.3 m-85 -118.74 174.6 6.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.7 m -144.14 155.45 43.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.9 t -136.83 141.48 42.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.5 m -87.81 99.65 12.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.396 1.06 . . . . 0.0 110.324 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.582 ' CZ ' HG11 ' A' ' 95' ' ' VAL . 4.5 m-30 -86.78 55.27 3.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.4 m -74.99 -70.24 0.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 110.379 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.43 124.7 83.71 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 113.84 3.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.517 1.798 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -164.92 -158.95 10.78 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.3 m -128.33 94.61 3.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 0.775 . . . . 0.0 110.345 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.628 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 98.4 m-85 -89.52 137.42 32.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.3 m -115.99 115.02 25.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.478 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.58 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 30.1 p90 -115.75 124.94 52.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.935 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.525 ' CE2' ' HB3' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -122.99 -178.93 4.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 111.029 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.45 ' SG ' ' ND1' ' A' ' 86' ' ' HIS . 0.5 OUTLIER -83.13 125.02 31.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.419 1.074 . . . . 0.0 108.267 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.518 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.7 OUTLIER -42.94 -50.37 13.58 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.296 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -74.97 -56.32 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.45 ' ND1' ' SG ' ' A' ' 83' ' ' CYS . 0.3 OUTLIER -80.05 58.02 2.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.595 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.4 70.42 1.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.74 41.79 0.24 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 111.041 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -118.37 -78.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -178.11 34.93 0.08 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.57 1.169 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.498 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -145.46 98.66 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 110.962 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.1 t -146.33 168.01 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -137.87 139.59 10.52 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.408 1.067 . . . . 0.0 111.073 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.36 147.84 28.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 0.778 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.582 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 51.5 t -121.55 147.69 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.6 t -143.44 104.4 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.444 HG21 ' CD2' ' A' ' 73' ' ' PHE . 59.5 t -99.98 143.26 14.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.334 -180.0 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.0 m -79.34 128.11 32.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.388 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.2 t -144.33 118.54 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.937 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 137.4 32.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.473 ' HE3' ' CD1' ' A' ' 41' ' ' ILE . 1.9 ttm -103.51 74.44 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.404 ' O ' ' CG ' ' A' ' 34' ' ' ASN . . . 119.99 104.09 2.02 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.477 1.111 . . . . 0.0 111.075 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.1 p -41.12 150.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.982 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.88 58.94 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.27 -67.74 0.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.13 53.55 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.29 114.16 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.422 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 1.1 pt? -74.74 100.44 4.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -145.6 177.55 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.559 ' CD2' ' HB2' ' A' ' 91' ' ' MET . 63.8 m-85 -122.5 103.5 8.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 -179.947 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 1.6 tp10 -137.33 123.78 13.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.463 ' HA ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.98 143.5 78.0 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.006 -2.498 . . . . 0.0 111.022 -0.058 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 p -74.53 -25.32 59.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 110.029 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.8 m -131.45 124.63 30.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.455 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -136.96 156.89 35.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.949 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 53.1 m -121.02 104.86 10.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.396 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.522 ' CD1' ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -108.72 146.36 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.364 179.944 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.522 ' O ' ' CD1' ' A' ' 23' ' ' ILE . 1.0 OUTLIER -73.22 166.61 22.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.966 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.62 149.04 38.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.69 -28.44 6.44 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.41 174.59 9.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -127.4 -179.93 5.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 30' ' ' LYS . 4.0 t -127.58 161.76 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.464 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 6.4 ttmt -134.73 141.07 46.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.513 ' CG ' HD11 ' A' ' 41' ' ' ILE . 2.1 m-90 -117.78 127.29 53.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.02 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.2 t -110.23 108.74 26.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -75.49 146.56 40.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.373 1.046 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 8' ' ' GLY . 9.9 m120 -123.01 -71.4 0.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -145.12 179.93 7.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.592 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 3.1 mp 70.24 57.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.363 -179.948 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.503 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -97.94 161.65 24.9 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 -179.935 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.503 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.95 160.24 96.82 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.093 -2.461 . . . . 0.0 111.003 -0.048 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -134.59 107.48 7.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.609 179.969 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.44 164.72 11.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.513 HD11 ' CG ' ' A' ' 31' ' ' TRP . 5.7 mt -128.01 104.85 12.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.88 122.77 61.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.631 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -99.51 99.91 10.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.562 ' HB2' ' CE2' ' A' ' 82' ' ' TYR . . . -74.47 108.69 7.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.31 98.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.1 80.93 1.87 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.99 -27.77 9.36 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.562 HG11 ' CE1' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -97.02 -179.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.07 156.95 36.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -71.12 -66.66 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.43 -32.9 5.49 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.508 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 53.6 m -66.99 -43.37 83.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.396 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.54 -4.55 58.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -73.01 -48.54 35.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -79.55 -40.59 29.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.694 ' CD2' ' CE1' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -59.81 -28.46 67.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.1 p -80.08 161.58 25.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.597 1.185 . . . . 0.0 110.003 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -135.49 99.86 4.34 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.51 1.131 . . . . 0.0 109.618 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -100.93 57.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -133.86 -168.73 11.89 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.554 1.159 . . . . 0.0 111.047 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -127.82 156.66 42.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 0.785 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.49 129.58 18.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.486 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 15.2 m-85 -133.39 43.12 2.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.68 106.91 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.24 86.31 1.09 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.79 -32.81 0.13 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.558 1.161 . . . . 0.0 111.074 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -76.21 156.33 33.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 3.3 p -144.16 128.26 17.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.972 -179.952 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -75.07 171.66 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.3 m -141.29 147.66 38.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 90.7 p -145.04 127.04 15.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 109.993 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.497 ' O ' ' CG ' ' A' ' 56' ' ' LEU . 99.0 m -101.87 136.51 41.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.694 ' CE1' ' CD2' ' A' ' 56' ' ' LEU . 3.6 m-85 -109.21 80.44 1.32 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.174 . . . . 0.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.7 p -60.71 -54.39 45.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.412 -179.947 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -88.72 126.73 58.77 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.266 179.939 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.16 104.67 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.33 -142.43 3.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.4 m -134.9 102.29 5.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.631 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 98.2 m-85 -97.25 140.16 32.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 111.084 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 p -121.73 111.91 17.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.399 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.614 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 39.6 p90 -110.18 142.11 42.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -144.98 173.17 12.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 -179.969 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 1.108 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 57.3 m -79.62 129.16 34.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 108.316 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.489 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -54.68 -52.33 71.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.341 179.964 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.09 -47.34 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.785 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.454 ' CE1' ' CE1' ' A' ' 39' ' ' HIS . 0.1 OUTLIER -98.01 46.11 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.622 179.949 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.478 ' CA ' ' O ' ' A' ' 83' ' ' CYS . 10.9 ttt180 -66.68 -46.65 74.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.38 39.38 2.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -92.3 -78.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -176.45 33.57 0.08 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.467 1.105 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 1.108 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER -145.66 117.2 8.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 111.046 179.994 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 25.0 t -145.67 166.15 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.226 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.52 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -143.87 151.65 23.54 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.21 110.07 8.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.476 HG11 ' CE2' ' A' ' 73' ' ' PHE . 55.6 t -98.91 141.57 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.9 t -125.25 134.62 66.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.562 HG23 ' CD2' ' A' ' 73' ' ' PHE . 97.5 t -128.48 147.88 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.963 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.9 m -144.15 129.34 18.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.422 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.472 ' CG2' HG11 ' A' ' 21' ' ' VAL . 64.3 t -135.19 126.43 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.632 1.207 . . . . 0.0 109.244 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -97.72 145.01 26.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.497 ' O ' ' CG ' ' A' ' 7' ' ' MET . 0.6 OUTLIER -109.69 101.04 9.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.935 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.77 93.8 2.3 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 179.958 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.5 p -49.26 143.29 6.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 0.781 . . . . 0.0 110.015 -179.94 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -77.02 58.84 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.4 t -148.06 -60.66 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.026 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.3 43.48 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.97 117.24 8.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 0.799 . . . . 0.0 109.314 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.409 ' N ' HD22 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -80.91 100.4 8.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.0 m -144.39 172.22 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.511 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 28.5 m-85 -115.43 105.67 13.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.479 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 9.5 mt-10 -133.77 133.4 22.3 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.98 132.47 27.66 Favored 'Cis proline' 0 C--N 1.359 1.121 0 C-N-CA 121.089 -2.463 . . . . 0.0 110.958 -0.031 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.439 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 88.0 p -52.41 -36.64 54.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 110.027 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -127.83 138.74 52.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.472 HG11 ' CG2' ' A' ' 5' ' ' VAL . 1.1 m -141.67 156.89 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.0 m -124.23 101.58 7.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.117 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -110.25 146.41 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.594 1.184 . . . . 0.0 109.406 179.914 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.498 ' O ' ' CD1' ' A' ' 23' ' ' ILE . 16.5 mttt -73.83 168.7 18.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.383 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.87 145.74 36.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.17 -17.0 40.11 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.536 1.147 . . . . 0.0 110.975 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.49 177.44 8.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -128.34 168.83 14.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.567 ' HB ' ' CZ3' ' A' ' 31' ' ' TRP . 36.1 t -132.88 136.68 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.96 145.7 30.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.567 ' CZ3' ' HB ' ' A' ' 29' ' ' VAL . 8.4 m-90 -124.86 121.7 35.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.04 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.7 t -106.57 129.35 60.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -97.27 153.38 18.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.591 1.182 . . . . 0.0 109.26 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -135.18 -85.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.85 178.67 6.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.409 HD22 ' N ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER 79.74 30.53 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 179.969 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.499 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -70.2 161.83 73.35 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 179.976 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.499 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.98 162.44 92.84 Favored 'Cis proline' 0 C--N 1.361 1.206 0 C-N-CA 121.035 -2.485 . . . . 0.0 110.99 -0.003 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.525 ' CE1' ' SG ' ' A' ' 83' ' ' CYS . 0.6 OUTLIER -139.6 103.12 4.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.649 179.927 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -119.23 141.83 48.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 58' ' ' HIS . 13.0 mm -93.25 98.27 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -101.9 101.17 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.63 ' CE2' ' CB ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -65.68 125.21 24.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 -179.969 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.469 ' HB2' ' CE2' ' A' ' 82' ' ' TYR . . . -104.75 100.0 9.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.18 98.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -122.48 60.49 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.5 -17.24 8.39 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.575 1.172 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.6 HG13 ' CD2' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -102.32 178.88 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.28 -179.939 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.84 139.15 32.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -56.51 -52.09 66.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -46.06 -54.91 7.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.467 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 34.4 m -55.9 -35.24 66.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 179.969 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.31 -24.41 54.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.578 1.174 . . . . 0.0 109.287 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -67.2 -28.01 67.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.78 -38.32 19.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.63 ' CB ' ' CE2' ' A' ' 43' ' ' PHE . 1.9 mp -84.97 0.44 51.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.244 -179.912 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.2 m -82.02 153.54 26.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.026 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.59 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 86.8 m-70 -144.84 101.91 3.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.563 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -132.89 30.37 4.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -88.32 15.75 55.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.14 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.691 ' CD1' ' CE2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER 75.93 161.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 0.751 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.586 ' O ' ' CD1' ' A' ' 63' ' ' PHE . . . -145.0 106.23 4.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.691 ' CE2' ' CD1' ' A' ' 61' ' ' LEU . 10.3 m-85 -158.16 44.62 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.55 100.25 3.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.86 117.8 3.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.0 24.59 6.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -112.78 123.18 49.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 6.7 p -126.66 121.54 32.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.59 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 17.6 m-85 -78.96 171.18 15.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.9 m -143.72 147.1 33.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.468 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.428 ' HB2' ' CB ' ' A' ' 56' ' ' LEU . 9.5 p -143.45 145.65 32.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 110.026 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.473 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 21.9 m -117.18 135.66 53.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.421 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.604 ' CE2' HG12 ' A' ' 95' ' ' VAL . 3.6 m-85 -104.69 82.14 1.86 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.7 p -52.81 -70.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.592 1.182 . . . . 0.0 110.467 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.39 142.92 35.77 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 120.31 6.01 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.472 1.775 . . . . 0.0 111.04 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -164.84 -138.8 2.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.462 ' CG2' ' HE3' ' A' ' 94' ' ' LYS . 20.2 m -143.49 119.91 10.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 0.8 . . . . 0.0 110.411 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.6 ' CD2' HG13 ' A' ' 48' ' ' VAL . 96.9 m-85 -113.29 106.86 15.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 54.1 m -88.28 110.41 20.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.362 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -113.73 131.31 56.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.552 1.158 . . . . 0.0 110.985 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.527 ' CD1' ' HG2' ' A' ' 87' ' ' ARG . 0.5 OUTLIER -130.79 169.23 15.99 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.748 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 20.4 m -77.54 129.57 35.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 108.274 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 3.0 tt0 -63.16 -51.57 68.66 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -75.0 -12.66 21.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.588 1.836 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.83 52.83 1.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.597 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.527 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -67.14 -56.95 7.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.225 -179.96 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.21 48.91 1.25 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.11 45.2 2.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.465 0.744 . . . . 0.0 109.35 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 50.17 39.35 34.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.748 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER -134.69 99.3 4.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.526 0.78 . . . . 0.0 110.962 179.95 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.5 t -145.9 171.24 4.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -151.89 138.16 6.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.462 ' HE3' ' CG2' ' A' ' 78' ' ' THR . 4.4 tttt -126.41 115.86 20.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 0.78 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.604 HG12 ' CE2' ' A' ' 73' ' ' PHE . 57.9 t -104.01 133.14 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.246 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.6 t -110.92 133.0 57.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.592 HG21 ' CD2' ' A' ' 73' ' ' PHE . 82.7 t -129.23 140.97 47.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.924 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.425 ' N ' HG13 ' A' ' 97' ' ' VAL . 5.7 m-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.266 -179.944 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.478 ' CB ' HG21 ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 49.7 m -136.36 118.46 15.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.434 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.422 HG11 ' N ' ' A' ' 6' ' ' LYS . 19.8 t -125.79 150.12 30.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.422 ' N ' HG11 ' A' ' 5' ' ' VAL . 2.7 mtmt -140.44 123.48 16.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.7 ptp -84.06 145.72 28.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.962 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' SER . . . 68.32 92.18 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.142 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' GLY . 2.4 m -38.6 149.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -74.08 59.18 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -148.96 -70.46 0.21 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.482 1.114 . . . . 0.0 110.062 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.55 43.05 0.03 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.1 . . . . 0.0 111.067 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.4 ' N ' HD23 ' A' ' 36' ' ' LEU . . . -145.22 150.36 36.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -97.58 102.26 13.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -143.47 156.75 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.4 1.062 . . . . 0.0 109.316 179.946 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -100.97 111.06 23.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.415 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -140.45 123.89 10.31 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.275 179.948 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.415 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -74.99 135.7 41.74 Favored 'Cis proline' 0 C--N 1.361 1.222 0 C-N-CA 121.032 -2.487 . . . . 0.0 111.027 0.028 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.0 p -57.63 -33.27 68.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.015 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.5 m -133.65 131.09 39.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 0.0 110.425 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -127.59 137.65 57.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.6 m -122.34 101.22 7.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.428 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.478 HG21 ' CB ' ' A' ' 3' ' ' ALA . 1.1 pp -108.16 -179.02 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.545 1.153 . . . . 0.0 109.36 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.01 179.4 6.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.18 89.0 4.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.62 -14.6 2.23 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -74.71 -179.67 4.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -122.87 173.9 7.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.26 -179.972 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.509 HG21 ' CZ ' ' A' ' 73' ' ' PHE . 77.7 t -134.91 159.95 41.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -135.28 147.78 49.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.566 ' CD1' HD11 ' A' ' 41' ' ' ILE . 6.4 m-90 -128.16 143.33 51.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 108.01 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.5 t -132.82 140.24 47.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.17 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -94.9 148.5 22.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -133.75 -88.87 0.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -119.38 -179.7 3.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.63 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 1.7 mm? 60.9 71.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.238 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.574 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -126.17 164.95 30.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 110.008 179.966 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.574 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -74.99 153.46 99.18 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.981 -0.032 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.63 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -142.26 125.15 16.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.582 -179.982 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -103.12 173.68 6.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.173 . . . . 0.0 109.288 179.963 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.566 HD11 ' CD1' ' A' ' 31' ' ' TRP . 81.2 mt -132.97 102.06 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.357 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.475 ' CG1' ' HG2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -104.46 161.59 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.936 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.584 ' CE1' ' HB3' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -138.92 97.63 3.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 -179.986 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -77.29 114.29 15.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.16 96.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 44' ' ' ALA . 7.3 p-10 -109.91 66.86 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.82 -26.04 9.15 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.467 1.104 . . . . 0.0 111.075 -179.958 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.561 HG12 ' CD2' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -90.42 -179.51 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.78 170.69 15.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 179.952 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -84.17 -64.78 1.1 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.238 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -46.17 -39.69 10.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.503 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 19.4 m -60.83 -55.4 33.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.47 -2.8 30.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.94 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -73.33 -48.41 34.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -85.14 -37.43 20.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -32.02 69.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.8 p -79.04 155.83 28.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.0 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.477 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 68.9 m-70 -128.08 100.04 5.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.619 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.475 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -93.8 29.76 1.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -180.0 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.29 -171.89 43.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 0.7 OUTLIER -126.89 146.46 50.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.55 116.67 29.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.556 ' CZ ' ' HB3' ' A' ' 61' ' ' LEU . 17.8 m-30 -124.24 -47.69 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.23 128.97 34.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.35 67.22 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 169.75 41.86 0.03 OUTLIER Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.428 1.08 . . . . 0.0 111.028 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -122.22 101.34 7.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 0.729 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.0 p -104.29 145.09 30.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.933 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.477 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 11.6 m-85 -104.31 172.32 6.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.4 m -144.29 148.92 35.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 110.413 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.4 p -143.32 164.63 29.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.983 -179.966 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.4 m -120.97 113.07 19.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.576 ' CE2' HG13 ' A' ' 95' ' ' VAL . 5.4 m-30 -92.99 68.8 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.8 m -84.59 -60.56 2.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 110.478 179.904 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.5 123.6 88.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 110.77 3.18 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.456 1.767 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.6 -146.52 4.43 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.142 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.5 m -145.14 87.53 1.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 0.754 . . . . 0.0 110.482 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.572 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 94.9 m-85 -81.37 143.34 32.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.936 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.0 m -126.52 115.45 19.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.419 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.584 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 28.6 p90 -116.83 135.43 53.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 111.049 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.78 -179.43 6.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.61 ' SG ' ' CE1' ' A' ' 39' ' ' HIS . 1.7 t -85.35 118.97 25.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 108.355 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 2.9 mt-10 -36.75 -53.69 1.81 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.315 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.1 Cg_endo -75.02 -48.2 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.481 1.779 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -95.76 53.09 1.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 109.501 -179.892 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 83' ' ' CYS . 2.3 ptp180 -82.91 53.89 2.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.72 51.08 0.14 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.485 1.115 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -123.9 26.07 7.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 113.1 -26.94 9.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.432 ' O ' ' HG3' ' A' ' 91' ' ' MET . 26.0 ptm -109.46 119.75 40.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 0.762 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.435 ' CG1' ' N ' ' A' ' 93' ' ' GLY . 91.2 t -146.24 168.34 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.482 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -133.15 133.53 7.05 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.426 1.079 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.34 119.36 24.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 109.368 179.937 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.576 HG13 ' CE2' ' A' ' 73' ' ' PHE . 2.3 t -109.47 144.95 16.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.1 t -140.62 105.41 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.916 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.555 HG23 ' CD2' ' A' ' 73' ' ' PHE . 61.3 t -87.82 141.41 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 t0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.935 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 89.7 m -81.1 130.08 34.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.418 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.456 ' CG2' HG13 ' A' ' 21' ' ' VAL . 42.1 t -145.18 105.39 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.368 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.56 121.79 22.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.413 ' CE ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -66.22 -29.51 69.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.984 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -122.35 -149.53 7.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 111.064 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -126.38 161.56 27.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 110.004 179.915 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -74.23 68.14 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.3 t 70.83 81.38 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.12 -79.31 0.04 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.547 1.154 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -143.33 179.29 7.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.46 100.06 9.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.4 m -145.05 150.58 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.566 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 64.0 m-85 -91.79 121.09 33.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HA ' ' N ' ' A' ' 19' ' ' SER . 9.7 tt0 -144.23 123.36 7.15 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.301 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.418 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.97 129.25 18.12 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.019 -0.016 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.429 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 46.0 p -51.17 -30.59 17.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.399 1.062 . . . . 0.0 109.961 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.0 m -127.3 110.42 12.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.41 179.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.456 HG13 ' CG2' ' A' ' 5' ' ' VAL . 1.0 OUTLIER -115.91 132.77 64.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.925 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.6 m -127.03 102.8 7.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.421 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.582 HD12 ' CD2' ' A' ' 73' ' ' PHE . 1.5 pt -107.44 179.0 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 0.0 109.352 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -75.81 171.75 13.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 98' ' ' ASP . . . -89.07 126.65 35.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.56 1.162 . . . . 0.0 109.255 -179.925 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.7 -17.61 32.93 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.934 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.44 -179.62 6.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.803 . . . . 0.0 110.343 179.917 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -123.45 180.0 4.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.546 HG13 ' CZ3' ' A' ' 31' ' ' TRP . 2.8 t -144.49 147.98 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.402 1.064 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -120.34 155.73 32.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.411 1.069 . . . . 0.0 109.277 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.546 ' CZ3' HG13 ' A' ' 29' ' ' VAL . 19.3 m-90 -134.78 109.78 8.78 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.6 t -74.89 136.08 25.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.418 ' ND2' ' HB2' ' A' ' 62' ' ' ALA . 13.3 t-20 -75.1 116.78 16.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.597 1.186 . . . . 0.0 109.372 179.954 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -102.99 -174.04 2.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.933 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.01 178.36 5.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mp 74.51 26.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 -179.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.521 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -64.52 162.46 34.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.023 179.948 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.521 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.01 161.46 94.8 Favored 'Cis proline' 0 C--N 1.361 1.216 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.992 -0.037 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.438 ' ND1' ' SG ' ' A' ' 83' ' ' CYS . 0.8 OUTLIER -139.25 101.77 4.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.618 -179.936 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.416 ' ND2' HG22 ' A' ' 42' ' ' VAL . 12.3 p-10 -101.93 170.09 8.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 58' ' ' HIS . 6.1 mt -132.73 98.75 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.416 HG22 ' ND2' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -99.7 118.14 45.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.593 ' CE2' ' HB3' ' A' ' 56' ' ' LEU . 0.6 OUTLIER -80.41 93.56 6.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.914 -179.945 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.46 108.14 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.923 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.49 99.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -116.63 53.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.12 -7.9 8.06 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.617 HG12 ' CD1' ' A' ' 79' ' ' TYR . 1.5 p -105.51 -179.61 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.357 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.18 143.38 41.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.599 1.187 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.54 -61.58 2.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.219 -179.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -46.54 -39.39 10.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.956 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.485 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 43.3 m -63.43 -53.34 53.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.476 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -59.02 -26.51 64.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.82 -55.34 35.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -69.65 -32.85 71.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.593 ' HB3' ' CE2' ' A' ' 43' ' ' PHE . 12.4 mt -82.6 1.13 39.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 2.6 m -101.05 156.09 17.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.971 -179.944 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.508 ' CE1' ' CD1' ' A' ' 69' ' ' PHE . 28.1 m-70 -135.88 98.52 3.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.6 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -94.0 25.0 3.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.43 -162.87 38.62 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 mp -144.03 165.73 26.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.418 ' HB2' ' ND2' ' A' ' 33' ' ' ASN . . . -145.07 123.25 12.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.504 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 11.0 m-85 -129.92 13.54 5.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -129.16 151.9 49.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.13 63.78 5.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.32 37.67 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -135.78 101.28 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 110.289 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.93 130.62 56.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.508 ' CD1' ' CE1' ' A' ' 58' ' ' HIS . 5.7 m-85 -82.98 171.93 13.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.426 1.079 . . . . 0.0 111.051 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.427 ' O ' ' NE2' ' A' ' 58' ' ' HIS . 6.2 m -138.02 152.17 48.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 -179.951 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.9 t -142.01 142.83 32.94 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.446 ' O ' ' CD2' ' A' ' 56' ' ' LEU . 74.6 m -87.05 117.17 25.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.445 1.091 . . . . 0.0 110.367 -179.937 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.582 ' CD2' HD12 ' A' ' 23' ' ' ILE . 3.3 m-30 -104.57 64.1 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.52 -57.1 2.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.464 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.21 119.35 64.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 101.22 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.448 1.762 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.68 -154.88 7.56 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.0 m -124.68 126.52 45.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 0.739 . . . . 0.0 110.316 -179.87 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.617 ' CD1' HG12 ' A' ' 48' ' ' VAL . 88.3 m-85 -120.05 105.83 11.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.5 m -80.61 100.18 8.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.418 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.554 ' CE1' ' HA3' ' A' ' 93' ' ' GLY . 20.9 p90 -107.95 132.1 53.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 111.045 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -144.19 -179.6 6.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.438 ' SG ' ' ND1' ' A' ' 39' ' ' HIS . 0.4 OUTLIER -83.34 131.06 35.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 108.336 179.982 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.522 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 3.1 mt-10 -46.96 -50.33 45.71 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.03 -57.59 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.495 1.787 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -85.68 68.03 10.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.62 -64.01 1.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 179.931 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.21 50.0 0.86 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.71 -34.07 6.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 147.85 -20.85 1.45 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.566 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -91.16 102.92 15.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 0.747 . . . . 0.0 110.974 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.434 ' C ' ' CD2' ' A' ' 16' ' ' PHE . 4.1 t -146.06 149.25 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.554 ' HA3' ' CE1' ' A' ' 81' ' ' TYR . . . -119.19 154.78 16.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.493 1.12 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -127.99 112.65 14.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 0.806 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.569 HG12 ' CE2' ' A' ' 73' ' ' PHE . 2.8 t -95.98 139.85 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.7 t -139.94 110.99 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 93.9 t -93.37 144.81 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 m -82.93 130.83 35.19 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.536 1.148 . . . . 0.0 110.362 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 70.2 t -144.9 106.7 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.22 138.44 38.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.497 ' CE ' ' O ' ' A' ' 39' ' ' HIS . 1.9 ptm -89.32 43.24 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.387 1.054 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 169.28 -141.39 6.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.394 1.059 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.5 m -156.97 141.36 16.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.055 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -76.8 66.95 2.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.396 1.06 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.83 -79.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.91 41.14 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 111.046 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.72 140.74 28.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.564 HD12 ' CE1' ' A' ' 86' ' ' HIS . 0.9 OUTLIER -97.51 98.97 10.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -146.1 149.52 16.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.408 ' CD1' ' HE2' ' A' ' 81' ' ' TYR . 75.1 m-85 -88.18 120.0 29.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.477 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 2.8 tt0 -141.97 117.34 6.93 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.252 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.477 ' HA ' ' HA ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -74.94 138.47 56.27 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.974 -2.511 . . . . 0.0 110.996 -0.068 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.6 p -65.25 -31.52 72.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 0.0 110.003 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.0 m -129.59 123.89 32.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.415 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 1.2 m -127.3 155.89 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.0 m -138.65 100.74 4.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.378 -179.931 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.405 HD11 ' CB ' ' A' ' 73' ' ' PHE . 1.3 pp -108.11 -178.86 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -74.37 177.72 5.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.233 -179.929 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.455 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . . . -100.34 91.72 4.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.88 -15.03 2.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.914 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.41 174.54 9.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 110.315 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.452 ' HG3' ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -119.16 147.49 44.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 110.246 -179.956 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.418 HG23 ' CE2' ' A' ' 73' ' ' PHE . 3.0 t -116.85 140.92 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -120.07 155.02 33.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.243 -179.952 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 18.6 m-90 -120.76 168.21 11.67 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.3 t -145.23 129.63 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -98.57 134.39 41.58 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -119.72 -73.73 0.63 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.558 1.161 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.04 172.56 12.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.372 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.615 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.4 OUTLIER 71.95 71.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 179.969 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.455 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -124.62 159.95 55.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.398 1.061 . . . . 0.0 109.991 -179.976 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.532 ' HG3' ' CZ ' ' A' ' 63' ' ' PHE . 18.5 Cg_endo -75.04 157.08 99.8 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.051 -2.479 . . . . 0.0 110.994 0.004 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.618 ' CE1' ' SG ' ' A' ' 83' ' ' CYS . 0.2 OUTLIER -142.24 112.19 6.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 109.594 -179.975 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -96.58 172.06 8.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 58' ' ' HIS . 25.5 mt -134.25 104.22 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 -179.966 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.07 122.2 60.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.407 1.067 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.629 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -94.6 95.89 9.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.497 ' HB1' ' CZ ' ' A' ' 82' ' ' TYR . . . -73.85 121.45 20.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.85 99.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -121.25 55.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.935 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 132.54 -13.67 5.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -112.59 177.96 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 0.782 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -74.59 170.59 15.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 1.069 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -80.06 -70.14 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.24 -179.957 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 50' ' ' ALA . 2.9 m-20 -39.55 -38.38 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.502 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 6.1 m -63.02 -54.24 41.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.79 -11.54 60.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -63.31 -63.81 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -36.88 83.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.532 HD21 ' CD2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -62.89 -30.67 71.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.6 m -74.71 162.2 28.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.952 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.468 ' ND1' ' CD1' ' A' ' 69' ' ' PHE . 82.4 m-70 -140.61 99.76 3.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.621 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -84.89 -51.76 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -43.95 107.2 0.12 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.946 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -53.48 -173.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 0.0 109.353 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.06 124.07 15.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.214 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.532 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 8.8 m-85 -125.5 45.26 2.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.11 126.1 14.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.47 90.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.24 -179.911 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 130.94 45.21 0.16 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -96.3 127.22 42.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 110.246 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.0 m -132.04 112.19 12.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.014 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.468 ' CD1' ' ND1' ' A' ' 58' ' ' HIS . 1.4 m-85 -87.35 170.13 11.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.452 ' CG2' ' HG3' ' A' ' 28' ' ' GLU . 12.3 m -128.17 151.15 49.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.46 ' OG ' ' CD2' ' A' ' 56' ' ' LEU . 29.0 t -144.46 138.13 27.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.043 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.488 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 17.4 m -97.34 115.32 27.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 110.451 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.559 ' CZ ' HG12 ' A' ' 95' ' ' VAL . 3.5 m-30 -96.8 52.32 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.056 179.959 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.0 m -74.18 -65.98 0.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.7 122.52 74.69 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 105.76 2.14 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.447 1.762 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.33 -141.68 3.25 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.939 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 18.6 m -145.01 97.33 3.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.407 0.71 . . . . 0.0 110.401 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.629 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 85.9 m-85 -88.11 134.45 33.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 111.088 179.907 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 41.7 p -117.72 109.58 16.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.416 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.609 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 34.3 p90 -110.34 127.68 55.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.549 ' CD1' ' CG ' ' A' ' 87' ' ' ARG . 0.4 OUTLIER -133.77 176.64 8.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 -179.98 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.618 ' SG ' ' CE1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER -84.55 135.9 34.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 108.367 179.931 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.508 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 2.0 mt-10 -56.3 -51.07 83.78 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -75.0 -47.79 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.443 1.76 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.564 ' CE1' HD12 ' A' ' 14' ' ' LEU . 29.5 m80 -92.29 36.66 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.389 1.056 . . . . 0.0 109.566 -179.933 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.549 ' CG ' ' CD1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -74.35 91.34 2.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 -179.945 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.92 12.53 57.71 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -179.938 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.81 -34.53 62.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 0.737 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.56 -35.27 0.17 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 0.0 111.076 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.508 ' SD ' ' CD1' ' A' ' 14' ' ' LEU . 11.4 ptm -96.78 120.8 37.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 0.781 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.3 t -147.23 153.46 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.415 ' HA3' ' CE1' ' A' ' 81' ' ' TYR . . . -118.0 151.05 18.09 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.32 93.79 2.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 0.795 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.559 HG12 ' CZ ' ' A' ' 73' ' ' PHE . 1.4 t -81.08 148.34 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 0.0 109.268 179.972 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.8 t -139.49 112.92 6.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.944 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.5 HG21 ' CD2' ' A' ' 73' ' ' PHE . 26.3 t -93.13 147.62 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.9 t70 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -75.6 130.58 39.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.463 ' CB ' HG22 ' A' ' 23' ' ' ILE . . . -110.32 158.79 18.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.2 m -142.53 126.82 17.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.388 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.43 ' CG2' ' HD2' ' A' ' 18' ' ' PRO . 79.1 t -129.37 139.71 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.11 132.35 52.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.588 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.9 OUTLIER -79.01 52.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 110.967 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 162.71 -139.84 6.16 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.411 ' HB3' ' CG2' ' A' ' 15' ' ' VAL . 86.6 p -156.03 143.41 19.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.17 69.41 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -168.63 -68.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.002 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.85 47.8 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.06 131.53 19.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.477 ' CD2' HD23 ' A' ' 36' ' ' LEU . 1.7 pp -80.33 100.46 8.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.411 ' CG2' ' HB3' ' A' ' 9' ' ' SER . 33.8 m -142.85 168.73 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.567 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 29.9 m-85 -118.92 102.19 8.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.481 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.1 tt0 -129.53 135.88 28.23 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.97 133.77 32.89 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.017 0.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.422 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 59.5 p -54.62 -23.18 15.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.962 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.9 m -142.57 129.31 20.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.43 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.464 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -129.46 144.31 38.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.3 m -128.37 119.49 25.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.385 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.474 HD13 ' CB ' ' A' ' 73' ' ' PHE . 1.1 pp -131.35 -179.35 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -74.56 176.66 6.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.72 92.58 5.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.92 -16.36 2.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.458 1.099 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.48 172.26 13.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.61 175.97 5.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.7 t -142.11 136.95 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -112.42 145.24 40.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 8.8 m-90 -110.27 175.18 5.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 108.006 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.1 t -143.41 145.42 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.96 145.34 34.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -137.64 -163.04 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -87.39 -179.88 6.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.238 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.477 HD23 ' CD2' ' A' ' 14' ' ' LEU . 1.2 mp 68.41 32.87 4.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.537 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -74.89 163.11 70.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.011 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.571 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.4 Cg_endo -74.97 163.37 90.86 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.033 -0.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 7' ' ' MET . 1.3 m-70 -130.12 99.81 5.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.578 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 60' ' ' GLY . 7.1 m-20 -83.02 168.11 17.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.415 ' CD1' ' HG2' ' A' ' 7' ' ' MET . 44.2 mt -145.09 99.93 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.36 120.2 64.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.582 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -90.87 95.75 10.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.557 ' HB1' ' CE2' ' A' ' 82' ' ' TYR . . . -74.73 119.82 19.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.4 95.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.8 OUTLIER -121.26 73.86 1.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.369 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.76 -24.95 13.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.44 HG12 ' CD2' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -103.5 -179.69 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.78 170.97 14.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -82.84 -69.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -43.1 -39.84 2.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.513 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 1.5 m -61.49 -61.21 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.412 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -63.37 -13.54 40.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -65.21 -63.14 1.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -59.09 -27.88 65.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.38 -29.47 47.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 53' ' ' ALA . 82.4 p -74.61 155.08 38.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.995 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -132.23 100.15 4.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.621 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -86.23 49.36 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.436 ' O ' ' ND2' ' A' ' 40' ' ' ASN . . . -118.47 -143.04 7.14 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.498 HD12 ' CE1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -159.78 -176.22 5.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 0.724 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.91 125.33 13.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 13.1 m-85 -133.32 -43.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.48 131.97 34.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.13 97.13 8.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.57 -25.23 0.44 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -75.79 140.74 42.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 110.321 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.5 m -135.9 164.86 26.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.165 . . . . 0.0 109.988 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -119.78 172.98 7.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.4 m -136.88 150.55 48.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 110.397 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.0 t -145.07 137.67 26.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.969 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.3 m -93.61 123.01 36.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 110.364 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.561 ' CZ ' HG12 ' A' ' 95' ' ' VAL . 4.1 m-30 -103.2 43.75 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.1 m -66.16 -69.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.379 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.5 124.4 75.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.326 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 112.75 3.63 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -166.1 -153.83 7.92 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.47 1.107 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 t -134.6 109.85 8.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 110.393 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.574 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 81.9 m-85 -101.88 133.33 46.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.3 m -118.58 110.9 17.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.427 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.582 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 36.3 p90 -110.65 129.79 55.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.557 ' CE2' ' HB1' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -127.09 178.55 5.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 87' ' ' ARG . 0.1 OUTLIER -80.94 126.16 31.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 108.274 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.514 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -61.71 -50.5 81.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.1 Cg_endo -75.01 -16.96 19.91 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.477 1.777 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.99 45.48 2.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.586 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.2 OUTLIER -76.24 -0.43 22.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.255 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -151.0 59.08 0.43 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.53 -50.34 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 146.97 46.28 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.567 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -143.58 99.27 3.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 111.014 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.456 ' CG2' ' N ' ' A' ' 93' ' ' GLY . 3.0 p -145.95 167.32 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.456 ' N ' ' CG2' ' A' ' 92' ' ' VAL . . . -141.74 158.1 26.52 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.85 144.07 50.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.744 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.561 HG12 ' CZ ' ' A' ' 73' ' ' PHE . 24.5 t -125.08 150.57 30.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.5 t -144.77 116.12 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.3 t -105.2 142.87 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -144.86 178.19 8.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.339 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.453 ' CB ' HG21 ' A' ' 29' ' ' VAL . . . -77.03 120.24 21.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.6 m -75.49 128.2 34.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.483 ' CG2' HG12 ' A' ' 21' ' ' VAL . 34.3 t -145.11 101.37 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -82.02 127.01 32.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.547 1.155 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.42 ' HB2' ' CE1' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -94.96 37.1 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 177.8 136.85 2.6 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.7 p -77.06 134.14 38.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 110.016 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.416 ' OD1' ' ND2' ' A' ' 34' ' ' ASN . 16.0 m-20 -74.8 64.04 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.14 -72.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.022 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.08 38.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.43 1.081 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.07 157.74 44.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 0.782 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.439 HD13 ' CB ' ' A' ' 91' ' ' MET . 0.3 OUTLIER -104.61 100.55 10.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.24 -179.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.0 m -139.88 132.15 34.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.579 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 31.3 m-85 -83.47 118.62 23.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 111.088 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.501 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.7 tt0 -138.12 134.02 17.64 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.288 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.0 132.31 27.14 Favored 'Cis proline' 0 C--N 1.361 1.209 0 C-N-CA 121.06 -2.475 . . . . 0.0 110.971 0.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.454 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 15.8 t -44.3 -37.4 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.013 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -131.55 109.83 10.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.354 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.483 HG12 ' CG2' ' A' ' 5' ' ' VAL . 1.0 OUTLIER -105.65 131.86 54.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.7 m -122.33 102.86 8.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.602 1.189 . . . . 0.0 110.359 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.563 HD13 ' CD2' ' A' ' 73' ' ' PHE . 1.3 pt -116.33 -179.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.257 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.54 172.93 12.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.24 126.66 36.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.16 -4.61 41.29 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.468 1.105 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.417 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 2.0 tt0 -88.9 -179.79 6.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 2' ' ' ASN . 0.5 OUTLIER -127.88 151.65 48.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.555 HG11 ' CZ3' ' A' ' 31' ' ' TRP . 5.6 t -122.32 119.36 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.71 147.36 26.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.555 ' CZ3' HG11 ' A' ' 29' ' ' VAL . 3.0 m-90 -123.33 122.68 38.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.1 t -87.03 134.92 26.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.439 1.087 . . . . 0.0 109.359 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -77.74 116.66 18.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.358 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.416 ' ND2' ' OD1' ' A' ' 10' ' ' ASP . 1.7 t-20 -103.24 -167.19 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -76.15 175.36 9.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.247 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.596 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.3 OUTLIER 77.9 69.82 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.505 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -114.67 161.89 26.46 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 110.034 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.505 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.05 140.51 67.69 Favored 'Cis proline' 0 C--N 1.359 1.116 0 C-N-CA 120.932 -2.528 . . . . 0.0 111.004 0.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -140.45 100.07 3.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.645 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -94.62 173.16 7.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 31' ' ' TRP . 79.0 mt -117.86 107.41 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.212 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.485 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -108.41 132.94 54.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.243 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.626 ' CD2' ' CB ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -91.74 92.14 8.28 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.539 1.149 . . . . 0.0 111.019 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.43 99.95 3.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.23 97.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -110.05 62.6 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.382 1.051 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 118.86 -22.15 9.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.447 1.092 . . . . 0.0 111.047 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.58 HG12 ' CD1' ' A' ' 79' ' ' TYR . 2.5 p -91.27 179.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.04 133.95 40.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.62 -50.65 73.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.242 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.38 -37.08 46.31 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.463 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 92.9 m -72.53 -39.83 67.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.363 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.18 -18.33 63.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.414 1.072 . . . . 0.0 109.273 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.78 -35.3 38.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -78.41 -18.96 54.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.626 ' CB ' ' CD2' ' A' ' 43' ' ' PHE . 1.1 mp -104.98 -3.73 22.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.59 151.79 22.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 110.044 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' ILE . 24.7 m-70 -140.63 99.93 3.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.599 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.485 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 2.3 mttt -97.29 43.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.59 -171.13 46.89 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.441 1.088 . . . . 0.0 110.961 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -120.3 114.67 22.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.24 118.14 27.62 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -140.63 -47.46 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.19 114.57 24.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.08 93.93 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.36 -31.74 0.15 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.437 1.086 . . . . 0.0 110.986 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -75.09 127.3 32.9 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.446 0.733 . . . . 0.0 110.279 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.9 p -124.08 142.6 51.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.437 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 22.0 m-85 -96.25 170.74 9.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.39 124.72 13.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.444 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.474 ' HB3' ' CD2' ' A' ' 56' ' ' LEU . 1.3 m -113.82 133.24 55.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.973 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.511 ' O ' ' CD2' ' A' ' 56' ' ' LEU . 2.3 m -74.82 121.3 21.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.564 ' CZ ' HG13 ' A' ' 95' ' ' VAL . 3.7 m-30 -104.03 64.68 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 81.5 p -85.8 -68.92 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.442 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.17 118.85 23.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.217 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 101.19 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -162.6 -138.25 2.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.4 m -140.76 133.14 28.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 110.365 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.593 ' CB ' ' CE2' ' A' ' 43' ' ' PHE . 96.8 m-85 -124.79 104.53 8.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 111.03 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.3 m -77.86 101.02 6.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 110.42 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.555 ' CE1' HG22 ' A' ' 95' ' ' VAL . 29.3 p90 -111.22 138.77 47.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.424 ' HA ' ' CZ ' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -143.95 -179.79 6.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.412 1.07 . . . . 0.0 111.016 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.0 p -87.32 110.31 20.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 108.309 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.519 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 5.0 tt0 -43.58 -50.75 17.0 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.535 ' O ' ' CG ' ' A' ' 86' ' ' HIS . 18.1 Cg_endo -75.09 56.87 4.44 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.535 ' CG ' ' O ' ' A' ' 85' ' ' PRO . 1.2 m170 167.78 42.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.584 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -76.71 60.43 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 139.63 61.4 0.04 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -135.63 -47.01 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 0.762 . . . . 0.0 109.341 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 133.94 43.38 0.13 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.579 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.9 OUTLIER -145.33 99.07 3.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 0.75 . . . . 0.0 110.979 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 31.6 t -146.21 161.01 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.23 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -125.8 169.76 17.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.2 109.83 7.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 0.771 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.564 HG13 ' CZ ' ' A' ' 73' ' ' PHE . 8.9 t -86.0 148.81 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.2 t -144.68 106.93 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.302 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.461 HG21 ' CD2' ' A' ' 73' ' ' PHE . 48.2 t -94.85 146.65 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.1 t0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.462 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 1.5 p30 -93.38 160.34 14.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.46 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . . . -104.06 142.88 33.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.3 m -120.27 131.84 55.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.44 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.8 t -143.79 119.39 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.44 149.05 23.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.48 ' O ' ' CE ' ' A' ' 91' ' ' MET . 3.5 mtm -76.21 -49.87 16.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -110.67 -130.74 5.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.3 p -141.65 149.1 40.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.592 0.819 . . . . 0.0 110.028 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -74.88 64.83 1.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.31 -64.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 110.068 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.87 49.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.99 123.56 12.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 109.337 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -80.15 102.32 9.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.259 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.8 m -142.78 132.15 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -82.44 102.02 11.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 111.056 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.504 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -145.08 136.45 12.64 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 110.273 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.02 132.78 28.72 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.971 -2.512 . . . . 0.0 111.052 0.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.452 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 63.2 p -59.86 -36.12 76.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -119.81 127.61 52.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.43 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 1.4 m -139.21 145.51 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 m -135.64 115.99 13.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 110.474 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.46 ' CG2' ' HB3' ' A' ' 3' ' ' ALA . 4.2 pt -119.5 -179.81 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -75.99 174.74 9.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.4 126.66 39.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.21 -18.94 30.25 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.509 1.13 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.96 179.0 7.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.407 0.71 . . . . 0.0 110.247 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -126.26 169.47 12.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.321 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.568 HG12 ' CZ3' ' A' ' 31' ' ' TRP . 13.2 t -123.35 140.89 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -109.29 149.38 29.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.366 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 2.6 m-90 -123.85 151.67 43.18 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.2 t -141.59 125.36 16.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -81.89 166.17 20.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -145.42 -80.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -138.2 177.41 7.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.231 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 1.2 mm? 66.14 54.85 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.511 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -90.62 162.57 33.37 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.007 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.572 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.5 Cg_endo -75.02 163.03 91.66 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.05 -0.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -140.22 108.37 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.103 . . . . 0.0 109.669 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.62 -179.47 3.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.466 1.104 . . . . 0.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.437 HD11 ' CD1' ' A' ' 31' ' ' TRP . 1.3 mp -130.93 105.82 11.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.425 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -112.77 114.81 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 109.31 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -95.84 99.12 10.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.535 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . . . -74.66 113.27 11.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.214 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.0 96.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -126.95 78.79 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.63 -24.85 11.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.48 1.113 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.555 HG11 ' CE2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -104.09 -179.59 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.91 171.1 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.44 -69.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.99 -42.35 8.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.518 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 2.8 m -58.73 -48.91 79.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 110.38 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -72.85 -14.81 61.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.16 -46.32 77.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.96 -37.17 70.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.416 1.073 . . . . 0.0 109.308 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.445 HD22 ' CZ ' ' A' ' 79' ' ' TYR . 6.1 mp -74.73 -22.69 58.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -74.38 145.8 43.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.034 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' ILE . 6.0 m-70 -131.6 99.96 4.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.547 1.154 . . . . 0.0 109.576 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -105.75 50.87 0.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 109.356 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 61' ' ' LEU . . . -133.97 78.61 0.35 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.464 ' CD1' ' CE1' ' A' ' 63' ' ' PHE . 1.1 pp -40.31 159.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 0.742 . . . . 0.0 109.253 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -123.83 131.9 53.67 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.125 . . . . 0.0 109.232 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 8.2 m-85 -126.38 32.11 5.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 110.961 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.78 134.97 27.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.26 73.36 3.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.22 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.45 44.02 0.02 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.509 1.131 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -121.2 132.39 54.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.4 m -138.03 122.12 17.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 0.0 109.977 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -93.48 167.1 11.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.1 m -132.61 154.7 49.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 110.397 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.4 p -145.13 131.49 19.63 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 1.146 . . . . 0.0 110.023 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.3 m -84.79 106.69 16.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 110.359 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.57 ' CZ ' HG12 ' A' ' 95' ' ' VAL . 4.2 m-30 -91.91 60.0 3.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -78.97 -64.72 1.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.381 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.91 119.08 55.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 107.26 2.44 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.451 1.764 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.7 -152.96 6.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.6 m -132.2 95.8 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 110.411 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.59 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 96.8 m-85 -93.93 138.87 31.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.1 m -121.27 111.02 16.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.099 . . . . 0.0 110.383 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.583 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 38.3 p90 -109.78 139.91 44.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.535 ' CE2' ' HB3' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -141.14 -179.29 6.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.411 1.069 . . . . 0.0 111.072 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 87' ' ' ARG . 0.5 OUTLIER -85.88 125.91 33.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 108.262 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.541 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -62.47 -48.77 86.03 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -74.99 -18.66 18.56 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.501 1.79 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.422 ' CD2' ' C ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -127.74 45.21 2.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.627 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.9 OUTLIER -77.99 -29.76 49.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -117.83 47.03 1.07 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.411 1.069 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.68 -50.5 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 148.01 45.44 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.48 ' CE ' ' O ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -136.51 98.44 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 0.735 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.467 ' CG2' ' N ' ' A' ' 93' ' ' GLY . 3.0 p -146.66 167.99 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.467 ' N ' ' CG2' ' A' ' 92' ' ' VAL . . . -152.44 149.9 21.63 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.582 1.177 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.98 150.4 29.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.57 HG12 ' CZ ' ' A' ' 73' ' ' PHE . 12.9 t -134.01 145.96 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.6 t -142.76 104.84 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.435 1.084 . . . . 0.0 109.336 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.531 HG22 ' CD2' ' A' ' 73' ' ' PHE . 63.8 t -84.88 144.46 9.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.379 1.049 . . . . 0.0 109.268 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -75.74 175.96 8.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.407 ' HB1' ' CG2' ' A' ' 23' ' ' ILE . . . -78.06 144.11 36.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.4 m -136.08 123.81 22.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 110.384 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.9 t -107.88 133.67 52.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.15 115.22 27.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.91 99.59 6.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.17 102.81 2.6 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 m -43.5 148.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 110.032 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -74.39 60.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.05 -70.79 0.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.66 42.0 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.581 1.175 . . . . 0.0 111.005 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.17 121.45 10.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 0.777 . . . . 0.0 109.236 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 pp -77.38 99.59 5.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.6 m -141.3 135.0 31.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.607 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 13.7 m-85 -78.0 108.43 11.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.492 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -136.84 134.88 19.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.01 133.34 30.98 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.018 -0.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.435 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 60.3 p -49.13 -36.12 18.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 m -129.68 114.07 15.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.384 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.429 HG22 ' CG2' ' A' ' 95' ' ' VAL . 1.0 OUTLIER -111.75 129.45 67.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.4 m -125.38 103.03 7.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.122 . . . . 0.0 110.403 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.703 ' CD1' ' CD2' ' A' ' 73' ' ' PHE . 2.3 pt -107.87 -179.87 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -80.69 177.65 8.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.3 93.62 8.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.31 -10.65 3.82 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -75.22 178.65 5.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 0.744 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.95 172.1 8.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.565 HG13 ' CZ3' ' A' ' 31' ' ' TRP . 30.6 t -141.72 121.75 11.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.68 144.44 34.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.577 ' CD1' ' CD1' ' A' ' 41' ' ' ILE . 10.6 m-90 -111.7 148.71 32.86 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.4 t -135.76 124.04 37.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -78.17 143.79 36.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -126.3 -86.68 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.78 -179.34 6.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.591 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 3.0 mm? 67.86 44.85 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.172 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.573 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -85.29 164.8 39.38 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.573 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.98 160.92 95.84 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.99 -0.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 3.8 m-70 -136.84 100.03 4.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.567 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 60' ' ' GLY . 3.4 m-20 -95.3 170.07 9.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.408 1.068 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.577 ' CD1' ' CD1' ' A' ' 31' ' ' TRP . 13.2 mt -138.67 99.82 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.574 1.171 . . . . 0.0 109.227 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -114.18 117.31 55.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.588 1.18 . . . . 0.0 109.344 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.591 ' CD1' ' HB3' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -89.72 102.83 15.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.479 ' HB1' ' CZ ' ' A' ' 82' ' ' TYR . . . -80.88 120.21 24.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.95 95.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' ALA . 4.4 t70 -122.68 72.83 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.6 -29.26 7.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.113 . . . . 0.0 111.064 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.556 HG13 ' CD1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -99.83 -179.72 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.537 0.786 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -75.0 167.59 21.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -75.79 -67.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -45.45 -43.74 11.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.496 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 4.2 m -58.27 -38.71 77.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -86.08 -14.52 44.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -69.4 -36.71 77.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.7 -40.22 20.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.455 ' CD2' ' OG ' ' A' ' 71' ' ' SER . 1.5 mp -68.74 -26.72 65.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 18.0 m -75.54 155.85 35.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 72.0 m-70 -131.92 100.7 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.645 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -98.84 44.75 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.415 ' O ' ' ND2' ' A' ' 40' ' ' ASN . . . -100.23 -148.71 22.83 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.64 159.27 37.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 0.796 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.601 ' O ' ' CD1' ' A' ' 63' ' ' PHE . . . -135.78 151.77 50.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.396 1.06 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 62' ' ' ALA . 0.3 OUTLIER 162.05 -50.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 111.048 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.62 105.5 6.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.628 1.205 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.67 135.27 56.71 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 109.244 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 120.53 -21.56 8.55 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.576 1.172 . . . . 0.0 111.058 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -77.93 131.92 37.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 0.807 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 12.5 p -136.24 134.14 37.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.122 . . . . 0.0 109.987 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.565 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 17.4 m-85 -95.36 172.64 7.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.433 ' O ' ' NE2' ' A' ' 58' ' ' HIS . 4.1 m -133.21 152.71 51.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.436 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.455 ' OG ' ' CD2' ' A' ' 56' ' ' LEU . 25.7 t -139.88 141.87 36.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.943 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.511 ' CG2' ' CG2' ' A' ' 74' ' ' THR . 85.1 m -95.28 132.72 39.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.703 ' CD2' ' CD1' ' A' ' 23' ' ' ILE . 5.1 m-85 -123.51 35.16 4.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.511 ' CG2' ' CG2' ' A' ' 72' ' ' THR . 70.9 p -60.71 -71.08 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.417 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.419 ' N ' ' OG1' ' A' ' 74' ' ' THR . 38.4 tt0 -72.17 137.78 81.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.417 ' HD2' ' CG ' ' A' ' 75' ' ' GLU . 18.3 Cg_endo -74.99 114.8 4.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.453 1.765 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.98 -165.82 13.17 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.477 1.111 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.2 m -128.72 102.49 6.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.599 0.823 . . . . 0.0 110.38 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.591 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 82.3 m-85 -101.89 132.49 47.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.062 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.8 m -122.31 107.86 12.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.403 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.59 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 34.1 p90 -107.91 143.55 36.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.479 ' CZ ' ' HB1' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -143.69 174.95 10.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.422 ' O ' ' N ' ' A' ' 87' ' ' ARG . 0.5 OUTLIER -78.67 121.66 24.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 108.258 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.485 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -47.66 -52.09 40.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -74.95 -49.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.462 1.769 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.94 47.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.598 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 83' ' ' CYS . 2.7 ttt180 -59.77 -45.28 92.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -116.26 55.27 0.55 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.59 58.81 1.67 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.468 0.746 . . . . 0.0 109.37 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 41.93 34.16 1.31 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.431 1.082 . . . . 0.0 110.962 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.607 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -133.02 99.42 4.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 111.033 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 93' ' ' GLY . 19.4 t -146.07 158.67 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.409 ' N ' HG13 ' A' ' 92' ' ' VAL . . . -137.85 119.77 1.9 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.597 1.186 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.45 130.88 44.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.567 HG12 ' CZ ' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -117.01 145.4 22.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.7 t -143.73 119.14 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.651 ' CG2' ' CD2' ' A' ' 73' ' ' PHE . 45.9 t -95.47 143.28 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -84.81 150.81 24.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.228 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.473 ' HB1' ' CG2' ' A' ' 23' ' ' ILE . . . -75.02 146.79 41.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.246 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.7 m -126.67 121.98 33.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.0 110.38 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.565 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 87.6 t -128.2 144.26 38.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.436 ' N ' HG13 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -119.9 132.74 55.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.585 1.178 . . . . 0.0 109.246 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.5 mtm -84.17 50.82 1.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 111.049 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.24 146.04 4.59 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.6 p -76.58 146.16 38.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 0.734 . . . . 0.0 110.023 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -74.49 62.35 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.7 t -157.56 -69.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.8 41.33 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.85 116.0 10.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 109.331 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.67 99.88 3.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.1 m -142.05 131.23 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.466 ' CD2' ' HE2' ' A' ' 91' ' ' MET . 6.4 m-85 -80.89 105.31 12.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 19.4 tt0 -140.49 134.49 15.29 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -75.03 132.9 29.11 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.97 -2.512 . . . . 0.0 110.965 0.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.434 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 9.3 p -57.45 -35.42 70.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.172 . . . . 0.0 109.998 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.0 m -124.38 123.78 40.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.3 m -127.64 140.79 48.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.8 m -128.84 111.07 12.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.464 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CG2' ' HB1' ' A' ' 3' ' ' ALA . 1.3 pp -119.18 -179.37 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -74.81 177.04 6.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.416 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . . . -97.7 89.04 4.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.242 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.34 -15.24 2.08 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -74.89 172.8 11.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 110.343 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -115.89 165.72 12.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.236 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.9 t -135.89 135.14 50.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -113.36 145.64 40.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.565 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 16.5 m-90 -121.19 117.48 27.21 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.81 143.33 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.11 155.82 36.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -149.57 -175.3 4.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.224 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -74.71 -177.98 3.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 35' ' ' LYS . 4.3 mm? 68.61 40.07 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.636 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -75.04 167.52 36.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.636 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.0 164.0 89.41 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.97 -0.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -133.96 100.5 4.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.649 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -100.98 178.11 4.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.369 1.043 . . . . 0.0 109.35 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.455 HD13 ' CG ' ' A' ' 31' ' ' TRP . 29.8 mt -139.52 99.91 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -117.26 112.42 38.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -87.51 105.86 17.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.567 ' HB2' ' CE2' ' A' ' 82' ' ' TYR . . . -81.26 104.89 12.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.31 97.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' ALA . 4.6 t0 -125.13 79.51 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.359 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.09 -31.6 6.64 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.555 HG11 ' CD2' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -96.33 -179.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 0.782 . . . . 0.0 109.323 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.58 172.39 12.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -84.71 -67.61 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -45.56 -41.23 9.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.511 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 1.6 m -62.16 -51.89 66.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.47 -12.68 61.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.175 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -63.99 -68.15 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.576 1.172 . . . . 0.0 109.389 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -54.49 -38.59 66.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.414 ' CD2' ' OG ' ' A' ' 71' ' ' SER . 0.6 OUTLIER -66.97 -34.2 77.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.162 . . . . 0.0 109.275 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.5 p -80.44 126.23 30.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.563 ' ND1' ' CD1' ' A' ' 69' ' ' PHE . 36.5 m-70 -94.33 179.61 5.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.592 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.87 -44.72 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.363 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -40.72 105.5 0.05 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.413 1.071 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 4.4 mm? -46.7 154.52 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.768 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.73 115.99 10.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 61' ' ' LEU . 10.1 m-85 -127.38 41.21 3.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -133.22 143.03 48.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.78 65.66 5.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 109.344 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 162.71 41.77 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -136.35 105.21 5.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 110.296 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 95.0 p -103.43 156.92 17.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.003 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.563 ' CD1' ' ND1' ' A' ' 58' ' ' HIS . 16.7 m-85 -107.49 177.93 4.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.7 m -141.15 148.08 39.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.162 . . . . 0.0 110.433 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.464 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 6.0 t -144.33 136.71 26.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.942 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 59.6 m -91.21 125.0 35.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.452 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.582 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.6 m-30 -105.89 47.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 111.071 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.46 -50.03 29.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.68 122.27 85.5 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 114.7 4.09 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.499 1.789 . . . . 0.0 110.943 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -162.62 -144.69 4.09 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 110.947 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.44 ' CG2' ' HE2' ' A' ' 94' ' ' LYS . 6.2 m -145.61 93.8 2.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 0.742 . . . . 0.0 110.378 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.586 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 77.0 m-85 -89.61 133.23 34.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 m -115.56 112.64 22.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.412 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.581 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 34.5 p90 -112.83 140.55 47.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -141.17 -179.77 6.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 84' ' ' GLU . 1.5 t -86.26 120.14 27.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 108.313 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.462 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.4 OUTLIER -38.92 -53.74 3.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.265 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.0 Cg_endo -75.07 -46.69 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.423 1.749 . . . . 0.0 110.927 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.53 59.04 1.78 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.625 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.459 ' HG3' ' CG ' ' A' ' 82' ' ' TYR . 20.6 ttp180 -85.46 -62.05 1.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.587 1.18 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.62 55.17 0.83 Allowed Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.588 1.18 . . . . 0.0 110.934 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -125.57 -45.1 1.8 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 0.781 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 163.42 -28.78 0.24 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.528 1.142 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.466 ' HE2' ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -76.94 99.35 5.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 0.732 . . . . 0.0 111.024 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 30.2 t -145.86 169.09 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -142.76 165.46 26.85 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.44 ' HE2' ' CG2' ' A' ' 78' ' ' THR . 0.0 OUTLIER -144.4 112.03 6.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.304 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.564 HG12 ' CE2' ' A' ' 73' ' ' PHE . 1.6 t -91.14 154.95 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 38.1 t -144.9 108.64 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.582 HG22 ' CD2' ' A' ' 73' ' ' PHE . 41.9 t -97.19 137.87 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.26 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -79.55 127.75 32.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.413 1.07 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.514 ' CB ' ' CG2' ' A' ' 23' ' ' ILE . . . -76.52 155.12 33.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.1 m -143.87 115.95 8.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.425 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.525 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 54.5 t -108.52 150.81 10.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.48 130.79 56.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.49 ' O ' ' CE ' ' A' ' 91' ' ' MET . 8.9 mtm -57.89 -52.72 64.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.15 148.17 18.57 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.106 . . . . 0.0 111.046 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.3 p -71.92 152.4 42.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.38 62.38 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.43 -58.45 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.02 45.0 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.428 1.08 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.97 125.31 13.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 0.745 . . . . 0.0 109.265 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.474 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -76.47 101.12 5.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.1 m -144.27 132.25 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.594 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 34.4 m-85 -81.62 101.79 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.052 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.479 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -135.55 132.08 19.6 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.588 1.18 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.6 Cg_endo -75.0 131.57 24.66 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.025 -0.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.443 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 11.1 p -52.73 -36.56 57.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.964 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.1 m -126.36 121.84 33.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.416 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.428 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -123.89 140.04 48.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.5 m -122.63 109.84 14.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.386 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.514 ' CG2' ' CB ' ' A' ' 3' ' ' ALA . 1.4 pt -118.15 -179.58 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -78.31 178.04 7.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.456 ' CB ' ' C ' ' A' ' 98' ' ' ASP . . . -99.28 120.9 40.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.96 -19.7 15.24 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.539 1.15 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.21 179.63 5.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.264 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.46 172.2 10.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.9 t -134.25 147.91 30.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -121.68 138.85 54.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.57 ' CZ3' ' HB2' ' A' ' 71' ' ' SER . 3.5 m-90 -108.7 151.8 25.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 108.023 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.6 t -135.31 139.33 47.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -96.62 140.06 31.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.231 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -123.77 -70.72 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -143.6 179.88 6.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.351 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.474 ' HG ' ' CD2' ' A' ' 14' ' ' LEU . 3.9 mm? 64.34 55.55 1.41 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.495 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -98.19 161.34 25.76 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.495 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.09 163.29 91.01 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.973 0.104 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.458 ' CD2' ' HB3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -134.96 112.88 10.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.634 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.63 158.46 18.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 58' ' ' HIS . 1.8 mp -122.62 111.68 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.23 122.13 67.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.593 ' CE2' ' CG ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -82.51 93.13 7.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.29 107.01 7.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.252 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.39 98.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -118.51 60.91 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.94 -13.45 8.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.418 1.074 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.602 HG12 ' CD1' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -103.47 -179.71 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.267 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -76.16 165.34 25.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 51' ' ' ASP . . . -77.47 -69.35 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 10.1 m-20 -40.09 -48.13 2.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.489 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 98.8 m -49.0 -69.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.356 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -52.06 -21.47 3.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 51' ' ' ASP . . . -66.34 -29.92 70.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.18 -28.91 20.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.585 ' HB3' ' CE2' ' A' ' 43' ' ' PHE . 2.6 mp -92.88 0.79 57.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.5 m -89.38 143.4 26.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.075 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 41' ' ' ILE . 41.8 m-70 -132.65 99.06 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 109.612 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -97.05 29.81 2.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -86.66 -148.72 12.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.478 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 5.7 mp -152.57 154.01 34.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 0.734 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -137.25 131.78 32.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.478 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 2.8 m-85 -129.17 -42.18 1.38 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.399 1.062 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.68 153.59 19.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.04 42.65 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.349 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -130.15 -40.44 0.26 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.458 1.098 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -74.36 126.63 31.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.751 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 3.6 m -134.1 142.19 47.43 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.14 . . . . 0.0 110.036 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -96.46 173.58 7.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.3 m -140.17 153.98 46.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.349 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 31' ' ' TRP . 5.3 t -133.36 154.08 51.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.013 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.472 ' O ' ' CD2' ' A' ' 56' ' ' LEU . 53.2 m -106.33 102.61 12.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.406 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.547 ' CZ ' HG11 ' A' ' 95' ' ' VAL . 4.7 m-30 -94.27 69.04 3.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.427 HG22 ' CG2' ' A' ' 72' ' ' THR . 40.7 p -88.44 -67.87 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.4 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.33 123.13 77.3 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 101.2 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.456 1.766 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.8 -138.53 2.62 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.2 m -143.27 129.89 20.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 110.401 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.602 ' CD1' HG12 ' A' ' 48' ' ' VAL . 96.7 m-85 -126.12 98.05 5.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.3 m -77.82 100.94 6.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.434 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.426 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 25.7 p90 -109.03 129.23 55.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -128.94 -179.87 5.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 1.021 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 1.7 m -77.46 126.13 30.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 108.312 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.502 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -52.75 -51.93 69.25 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -74.98 -50.91 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.579 1.831 . . . . 0.0 111.01 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -85.84 48.82 1.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.636 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.92 5.05 38.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 110.258 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -153.62 51.49 0.48 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.568 1.168 . . . . 0.0 111.006 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.18 -47.03 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.753 . . . . 0.0 109.231 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 146.4 45.11 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.123 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 1.021 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER -138.02 99.02 3.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.784 . . . . 0.0 110.989 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.46 ' CG2' ' N ' ' A' ' 93' ' ' GLY . 2.4 p -146.07 166.17 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.46 ' N ' ' CG2' ' A' ' 92' ' ' VAL . . . -139.8 154.05 23.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.14 104.93 8.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 0.776 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.547 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 55.4 t -85.0 145.11 8.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.3 t -139.35 101.57 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.425 1.078 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.412 HG22 ' CD2' ' A' ' 73' ' ' PHE . 91.8 t -93.87 141.47 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.247 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.456 ' C ' ' CB ' ' A' ' 25' ' ' ALA . 30.2 m-20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -144.52 179.57 7.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.469 ' CB ' HG23 ' A' ' 29' ' ' VAL . . . -77.31 144.3 38.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 90.6 m -112.21 133.74 54.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 110.409 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.2 t -144.68 99.65 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.224 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -83.33 146.65 28.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -72.64 -165.48 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 111.042 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.456 ' HA3' ' CD1' ' A' ' 36' ' ' LEU . . . -34.72 131.61 0.53 Allowed Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.1 p -47.93 144.07 3.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.421 0.718 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -76.95 57.27 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.45 -71.62 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.003 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.29 38.34 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.562 1.164 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.99 114.77 7.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 0.748 . . . . 0.0 109.347 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.464 HD12 ' CB ' ' A' ' 91' ' ' MET . 0.5 OUTLIER -83.59 99.17 10.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.2 m -145.35 141.97 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.363 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.566 ' CE2' ' HG2' ' A' ' 91' ' ' MET . 72.1 m-85 -88.77 126.94 35.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 111.059 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.48 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 26.3 tt0 -141.06 131.27 13.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.48 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.6 Cg_endo -74.86 132.99 29.35 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.067 -0.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.432 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 39.3 t -42.51 -35.91 1.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.946 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.2 m -136.73 128.34 28.72 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -124.92 143.57 38.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.7 m -122.49 108.03 12.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.416 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.411 HD13 ' CB ' ' A' ' 73' ' ' PHE . 1.3 pt -116.99 -179.72 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -77.42 177.36 8.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.453 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . . . -100.65 98.57 9.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.65 -22.58 2.68 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.6 179.73 5.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 0.801 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.12 176.24 6.51 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.621 ' CG2' ' CE2' ' A' ' 73' ' ' PHE . 3.1 t -130.54 157.25 42.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.49 141.73 51.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.477 ' CD2' ' CE1' ' A' ' 58' ' ' HIS . 9.3 m-90 -111.96 159.36 18.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 107.973 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.9 t -139.22 111.98 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.578 1.174 . . . . 0.0 109.259 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -77.65 140.22 39.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -126.95 -87.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.3 mmtm -135.56 -179.18 5.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 109.35 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.563 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.6 OUTLIER 75.29 69.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.541 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -121.61 163.25 31.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.974 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.541 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.99 139.88 64.24 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.962 -2.516 . . . . 0.0 111.019 -0.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.563 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 1.6 m-70 -140.12 102.96 4.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.635 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.3 -179.96 4.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.567 HD12 ' CE1' ' A' ' 58' ' ' HIS . 5.0 mt -121.04 115.4 46.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -124.36 125.4 70.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.607 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -96.54 101.51 13.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.951 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.57 ' HB1' ' CE2' ' A' ' 82' ' ' TYR . . . -78.9 107.36 11.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.86 96.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.4 m-20 -120.55 75.58 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.36 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.43 -27.09 9.67 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.57 HG11 ' CD2' ' A' ' 79' ' ' TYR . 1.0 OUTLIER -100.01 175.67 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 109.347 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.42 147.52 37.91 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.465 1.103 . . . . 0.0 109.229 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -64.0 -51.76 62.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.354 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.29 -55.21 6.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.494 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 17.8 m -58.99 -53.97 52.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.435 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.39 -21.05 33.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -67.49 -70.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -58.02 -29.99 65.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.37 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 72' ' ' THR . 0.7 OUTLIER -68.59 -31.65 70.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.355 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.4 p -74.54 147.84 41.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.06 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.567 ' CE1' HD12 ' A' ' 41' ' ' ILE . 5.6 p80 -145.15 99.89 3.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.642 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 60' ' ' GLY . 11.0 mttt -70.06 -82.29 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.367 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.425 ' HA3' ' CZ ' ' A' ' 69' ' ' PHE . . . 47.94 98.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.462 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 4.2 mm? -47.18 142.54 3.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 0.806 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -109.26 106.67 16.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.462 ' CE2' ' HB3' ' A' ' 61' ' ' LEU . 21.7 m-85 -131.52 -44.94 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 111.055 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.79 146.87 24.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.075 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.44 128.3 34.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.19 15.21 10.0 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.58 103.72 15.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 0.791 . . . . 0.0 110.251 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 67.2 m -106.22 135.26 48.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.425 ' CZ ' ' HA3' ' A' ' 60' ' ' GLY . 17.9 m-85 -109.44 175.89 5.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 110.97 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.5 m -144.88 157.57 44.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.398 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.4 t -144.99 155.0 43.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.975 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.507 ' O ' ' CD2' ' A' ' 56' ' ' LEU . 2.5 m -105.91 109.95 22.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.621 ' CE2' ' CG2' ' A' ' 29' ' ' VAL . 6.8 m-30 -95.95 46.55 1.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.4 m -68.48 -64.67 0.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -61.2 123.21 74.83 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 125.45 9.32 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.527 1.804 . . . . 0.0 111.072 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 179.14 -142.73 5.44 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.2 m -144.02 108.64 4.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 0.797 . . . . 0.0 110.378 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.607 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 85.8 m-85 -105.61 135.2 47.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.1 m -110.66 115.58 29.84 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.565 1.166 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.607 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 33.9 p90 -114.94 137.49 51.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.57 ' CE2' ' HB1' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -145.51 -179.75 6.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.441 ' CB ' ' ND1' ' A' ' 39' ' ' HIS . 1.0 OUTLIER -95.69 116.38 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 108.366 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.478 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -37.08 -56.46 1.48 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.563 ' O ' ' CG ' ' A' ' 86' ' ' HIS . 18.1 Cg_endo -75.04 52.68 3.14 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.605 1.845 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.563 ' CG ' ' O ' ' A' ' 85' ' ' PRO . 1.4 m80 165.63 42.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 0.0 109.585 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.478 ' O ' ' CG ' ' A' ' 87' ' ' ARG . 19.0 ptt180 -90.69 121.1 32.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.43 28.44 55.52 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -106.3 -36.55 6.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.392 0.701 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 151.04 -36.61 0.88 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.566 ' HG2' ' CE2' ' A' ' 16' ' ' PHE . 0.8 OUTLIER -77.6 98.66 5.48 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.524 0.779 . . . . 0.0 110.991 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.438 ' C ' ' CD2' ' A' ' 16' ' ' PHE . 52.6 t -146.79 169.52 4.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.417 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -127.32 167.51 19.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.1 117.06 9.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 0.722 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.549 HG22 ' CZ ' ' A' ' 73' ' ' PHE . 37.9 t -96.72 146.38 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.2 t -141.2 104.18 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' A' ' 25' ' ' ALA . 15.8 t -107.63 140.59 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.1 t0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -143.56 175.48 9.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.485 ' CB ' HG21 ' A' ' 23' ' ' ILE . . . -78.82 125.71 29.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.468 1.105 . . . . 0.0 109.359 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.5 m -90.93 141.15 29.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.394 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.3 t -145.35 128.7 11.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.599 1.187 . . . . 0.0 109.225 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.93 143.17 49.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.413 1.07 . . . . 0.0 109.239 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.7 mtm -94.58 -90.5 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.441 ' O ' ' ND2' ' A' ' 34' ' ' ASN . . . -59.15 98.19 0.1 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 m -47.64 160.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 0.784 . . . . 0.0 109.994 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.95 66.38 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.11 -61.22 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.2 44.58 0.04 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.55 1.156 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.15 130.22 18.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.388 0.699 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -75.23 111.28 10.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.3 m -143.52 -179.95 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.574 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 43.6 m-85 -128.29 111.53 13.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.601 1.188 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.477 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.9 tt0 -145.01 130.14 9.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -74.97 132.2 26.77 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.955 -2.519 . . . . 0.0 111.067 -0.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.43 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 95.5 p -57.34 -27.33 62.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 110.004 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -134.38 120.54 19.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -121.12 142.01 39.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.522 1.138 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.3 m -132.88 100.21 4.84 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.498 1.124 . . . . 0.0 110.467 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.485 HG21 ' CB ' ' A' ' 3' ' ' ALA . 5.0 pt -112.82 -179.76 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -75.32 174.24 9.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.28 126.33 36.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.9 -22.87 18.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.422 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 0.7 OUTLIER -74.9 -179.92 4.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 0.763 . . . . 0.0 110.266 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.404 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 7.3 pm0 -128.11 178.87 5.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.27 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.482 HG23 ' CE2' ' A' ' 73' ' ' PHE . 3.5 t -138.89 138.64 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.399 1.062 . . . . 0.0 109.366 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.92 131.94 56.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.463 ' O ' ' CB ' ' A' ' 68' ' ' SER . 12.1 m-90 -93.79 163.32 13.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 108.007 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.8 t -142.08 101.1 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 109.285 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -80.13 150.58 30.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.138 . . . . 0.0 109.355 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 8' ' ' GLY . 15.8 m-20 -124.87 -80.83 0.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.581 1.176 . . . . 0.0 109.282 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -129.69 -179.51 5.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.607 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 2.7 mp 71.01 50.96 0.3 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.544 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -95.46 163.39 21.64 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.17 . . . . 0.0 109.983 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.562 ' HG3' ' CZ ' ' A' ' 63' ' ' PHE . 18.2 Cg_endo -75.03 157.04 99.83 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.928 -2.53 . . . . 0.0 111.03 0.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.607 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 1.4 m-70 -124.2 110.54 14.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.597 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -100.55 171.43 7.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 98.0 mt -143.55 99.06 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -108.82 122.71 63.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.613 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -94.75 102.88 14.78 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 111.043 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.569 ' HB1' ' CE2' ' A' ' 82' ' ' TYR . . . -78.54 130.69 36.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.361 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.84 100.49 0.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 109.336 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -132.77 55.57 1.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 134.54 -11.81 4.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.539 HG12 ' CD2' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -121.46 -179.74 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 0.0 109.252 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -75.79 168.57 19.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' ALA . . . -81.3 -64.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -45.43 -43.59 11.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.508 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -66.17 -34.62 78.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -79.52 -19.8 48.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -72.84 -45.28 59.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -43.0 87.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.513 ' CD1' ' O ' ' A' ' 72' ' ' THR . 4.4 mp -73.23 -24.92 60.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 3.6 m -75.87 151.55 37.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.064 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.496 ' CE1' ' O ' ' A' ' 70' ' ' THR . 55.8 m-70 -126.86 99.83 5.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.587 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -97.63 40.46 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -119.82 152.3 17.13 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 111.031 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -88.52 158.05 18.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 0.713 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.84 107.92 6.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.562 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 6.2 m-85 -119.14 46.19 1.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.12 122.66 15.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.588 1.18 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.2 113.77 3.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.4 26.43 5.67 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.566 1.166 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -76.4 141.85 41.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 0.755 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 4.1 p -145.11 122.6 11.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.944 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -96.69 176.11 6.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.068 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.496 ' O ' ' CE1' ' A' ' 58' ' ' HIS . 1.5 m -134.49 142.75 47.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.382 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.3 t -134.43 135.77 42.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.513 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 5.5 m -85.65 115.13 23.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.412 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.57 ' CE2' HG12 ' A' ' 95' ' ' VAL . 4.2 m-30 -102.22 61.96 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.954 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.2 p -87.17 -70.07 0.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.387 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.48 120.81 43.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.177 . . . . 0.0 110.326 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 100.02 1.32 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.541 1.811 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.77 -147.2 4.49 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.586 1.179 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.7 m -139.99 105.04 4.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 110.459 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.613 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 94.8 m-85 -98.63 145.0 27.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.9 p -125.53 111.35 14.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.432 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.574 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 34.7 p90 -112.01 139.44 47.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.569 ' CE2' ' HB1' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -138.58 179.49 6.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.9 130.23 34.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 108.321 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.516 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -56.97 -50.72 86.56 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 110.388 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -75.0 -52.32 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.49 1.784 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.79 44.75 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.609 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -64.38 -58.29 6.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -104.2 63.66 0.36 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -131.94 -46.34 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.283 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.38 45.68 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.574 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -143.08 98.99 3.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 0.805 . . . . 0.0 110.995 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.8 t -146.08 150.84 14.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -128.03 157.33 21.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.43 157.98 26.18 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.51 0.771 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.57 HG12 ' CE2' ' A' ' 73' ' ' PHE . 75.3 t -140.72 147.04 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.9 t -145.21 103.8 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 62.8 t -95.28 140.16 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -144.35 179.37 7.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.405 1.066 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.451 ' CB ' HG21 ' A' ' 29' ' ' VAL . . . -77.71 119.46 21.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.1 m -76.09 129.34 36.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.16 . . . . 0.0 110.417 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.5 t -144.67 100.0 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.25 115.42 18.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.501 ' O ' ' CE ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -64.91 -28.65 69.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.163 . . . . 0.0 110.982 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.418 ' N ' ' HG2' ' A' ' 7' ' ' MET . . . -131.5 133.62 7.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.7 t -44.01 167.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 0.74 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.54 68.35 1.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.5 t 67.15 99.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.005 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.87 -67.53 0.16 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.09 167.33 22.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 0.774 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.93 101.31 12.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.1 m -144.48 140.35 24.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.08 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.596 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 59.2 m-85 -79.79 118.84 21.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.451 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 17.0 tt0 -145.2 129.13 8.69 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 110.282 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.05 132.4 27.45 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.006 -2.497 . . . . 0.0 110.984 0.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.426 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 92.7 p -53.87 -33.26 55.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.085 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 m -126.35 117.51 23.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 110.362 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -121.64 140.79 44.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 m -133.34 100.75 4.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.376 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.476 HD11 ' CB ' ' A' ' 73' ' ' PHE . 1.5 pt -108.48 -178.75 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.05 176.58 6.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.41 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . . . -96.7 118.45 33.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.19 -26.8 6.93 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -75.92 178.77 5.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 0.723 . . . . 0.0 110.293 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.44 172.85 9.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.563 HG22 ' CE2' ' A' ' 73' ' ' PHE . 2.5 t -129.87 143.83 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.92 158.35 17.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.498 ' O ' ' CB ' ' A' ' 68' ' ' SER . 7.5 m-90 -127.76 105.92 8.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.013 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 82.9 t -81.06 111.76 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -79.0 110.47 14.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -95.91 -84.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.404 ' C ' ' CD2' ' A' ' 36' ' ' LEU . 14.9 mmtt -135.44 178.51 6.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.541 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.3 OUTLIER 75.02 29.95 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.52 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -85.27 162.7 47.97 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.582 1.176 . . . . 0.0 110.017 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.581 ' HG3' ' CZ ' ' A' ' 63' ' ' PHE . 18.1 Cg_endo -75.04 156.97 99.85 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.941 -2.525 . . . . 0.0 111.003 -0.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 2.2 m-70 -129.23 112.82 14.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.602 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -98.46 161.83 13.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.56 ' HB ' ' CE1' ' A' ' 58' ' ' HIS . 3.6 mp -126.22 101.37 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.24 108.53 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.605 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -86.3 102.1 13.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -79.96 103.66 10.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.411 1.07 . . . . 0.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 44' ' ' ALA . . . -39.94 97.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -123.89 75.81 1.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.83 -32.04 6.02 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.563 HG11 ' CD2' ' A' ' 79' ' ' TYR . 2.2 p -96.09 -179.83 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.96 143.97 41.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.238 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -63.03 -55.68 23.53 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -44.45 -48.77 9.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.474 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 24.1 m -57.82 -59.06 5.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.74 -15.89 34.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.402 1.064 . . . . 0.0 109.347 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -64.26 -59.54 4.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -37.45 66.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.03 -24.68 55.55 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.13 . . . . 0.0 109.25 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 80.4 p -87.5 131.89 34.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.56 ' CE1' ' HB ' ' A' ' 41' ' ' ILE . 3.2 p80 -130.71 101.69 5.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 109.622 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -74.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 45.97 -154.7 0.65 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.461 ' HG ' ' CB ' ' A' ' 38' ' ' PRO . 3.4 tp -179.0 93.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.562 0.801 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.51 142.86 27.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.581 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 10.7 m-85 -131.1 21.98 4.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -135.72 139.08 43.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.26 77.11 10.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.238 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -171.2 -39.19 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 111.037 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -74.64 144.53 43.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 0.723 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 12.8 p -138.84 133.24 31.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.967 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.518 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 12.1 m-85 -76.13 174.42 10.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.1 m -145.35 155.43 43.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.0 t -144.93 146.48 32.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.939 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.0 m -88.14 112.66 22.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 0.0 110.369 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.563 ' CE2' HG22 ' A' ' 29' ' ' VAL . 4.6 m-30 -103.0 46.81 0.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 111.056 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.0 p -75.5 -70.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.12 119.8 12.91 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 100.64 1.38 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.415 1.745 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.71 -142.31 3.42 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.111 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.0 t -145.18 110.95 5.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 110.416 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.605 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 87.0 m-85 -107.46 138.56 43.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.6 m -115.11 115.41 26.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.414 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.585 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 28.0 p90 -118.39 133.28 56.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.491 ' CZ ' ' HB2' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -140.3 -179.46 6.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.963 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.608 ' SG ' 'CU ' ' A' ' 132' ' ' ' CU' . 0.1 OUTLIER -79.45 138.93 37.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 108.341 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.523 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -65.05 -50.45 61.64 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -74.97 -49.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.83 45.04 1.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.595 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.69 -1.31 55.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -145.11 50.84 0.63 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -135.95 -46.9 0.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 146.22 47.82 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.466 1.104 . . . . 0.0 111.026 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.596 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -138.28 99.62 3.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 0.793 . . . . 0.0 111.081 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.4 t -145.71 169.36 6.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -146.84 138.21 7.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -110.67 134.14 52.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.375 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 70.5 t -114.12 147.23 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.289 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.3 t -144.92 100.09 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.595 1.184 . . . . 0.0 109.247 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.42 ' CG1' ' O ' ' A' ' 73' ' ' PHE . 42.0 t -92.0 138.2 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . 0.608 'CU ' ' SG ' ' A' ' 83' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -142.8 179.21 7.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.443 ' CB ' ' CG2' ' A' ' 23' ' ' ILE . . . -85.35 120.82 27.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.3 m -91.63 134.86 34.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.8 t -144.5 109.02 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.43 141.01 35.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.239 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -89.5 29.0 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.4 -141.03 3.22 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.462 1.101 . . . . 0.0 111.062 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.423 ' OG ' ' CG2' ' A' ' 15' ' ' VAL . 53.5 m -155.34 142.08 18.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 0.776 . . . . 0.0 110.002 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -74.51 58.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 t -153.62 -70.73 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.08 . . . . 0.0 109.966 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.59 42.46 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.559 1.162 . . . . 0.0 110.96 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.1 128.86 17.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 0.744 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.467 ' CA ' HD11 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -80.86 100.13 8.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.416 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.423 ' CG2' ' OG ' ' A' ' 9' ' ' SER . 26.8 m -145.06 138.98 22.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.598 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 40.7 m-85 -82.87 112.3 19.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.474 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 7.0 tt0 -144.11 131.86 10.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.271 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.95 132.06 26.26 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.003 -0.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.441 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 35.6 p -55.63 -36.12 66.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 m -122.85 128.12 49.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.364 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.2 m -134.05 143.57 37.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.6 m -129.01 111.0 12.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.409 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.468 HD11 ' CB ' ' A' ' 73' ' ' PHE . 1.7 pt -116.16 -179.49 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -74.49 173.33 10.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.409 ' CB ' ' C ' ' A' ' 98' ' ' ASP . . . -99.31 105.46 17.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.435 1.084 . . . . 0.0 109.245 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 129.24 -6.19 6.34 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.422 1.076 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.53 -179.7 5.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 0.777 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.468 ' N ' ' CD ' ' A' ' 28' ' ' GLU . 6.4 mp0 -116.99 -179.96 3.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 110.349 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.579 HG12 ' CZ3' ' A' ' 31' ' ' TRP . 9.5 t -139.33 150.7 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -117.18 156.35 27.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.579 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 5.8 m-90 -135.58 102.39 5.1 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 82.2 t -87.38 145.77 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -109.61 150.5 28.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -128.09 -79.16 0.58 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.223 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -140.33 175.0 9.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.593 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.3 OUTLIER 78.53 52.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.506 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -98.93 162.01 22.96 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.008 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.506 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.04 160.97 95.75 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 120.94 -2.525 . . . . 0.0 111.025 -0.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -138.83 122.81 17.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.653 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.455 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -109.92 -179.63 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.342 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.564 HD11 ' CD1' ' A' ' 31' ' ' TRP . 43.2 mt -141.6 103.48 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.48 133.28 52.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 3.0 m-85 -104.88 106.52 17.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.63 111.31 19.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.181 . . . . 0.0 109.293 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.12 96.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -122.7 77.28 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.36 -27.55 8.87 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.574 HG11 ' CE1' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -96.17 177.64 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.33 128.46 34.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.1 -62.14 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.321 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -45.58 -62.62 1.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.522 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 2.0 m -42.6 -62.36 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.382 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -56.71 -26.71 57.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 51' ' ' ASP . . . -62.67 -42.83 99.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -16.26 61.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.582 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -105.4 0.4 26.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.554 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -87.71 111.5 21.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 110.06 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.807 ' CE1' ' CD1' ' A' ' 69' ' ' PHE . 5.1 m-70 -87.69 170.54 11.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.598 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.46 60.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -106.06 171.94 18.37 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.453 1.096 . . . . 0.0 111.052 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.539 ' O ' ' CZ ' ' A' ' 63' ' ' PHE . 3.6 mm? -121.44 75.05 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.421 0.718 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.5 145.61 36.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.539 ' CZ ' ' O ' ' A' ' 61' ' ' LEU . 4.7 m-85 -135.14 -44.03 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.83 128.69 35.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.3 86.02 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.89 -35.56 0.08 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -75.19 126.29 30.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 0.748 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.7 m -125.3 144.72 50.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.032 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.807 ' CD1' ' CE1' ' A' ' 58' ' ' HIS . 1.6 m-85 -92.33 168.99 10.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.468 ' O ' ' NE2' ' A' ' 58' ' ' HIS . 95.1 m -140.57 157.96 44.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.359 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.414 ' OG ' ' CE1' ' A' ' 73' ' ' PHE . 2.0 p -143.96 173.5 11.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 109.954 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.45 ' O ' ' CD2' ' A' ' 56' ' ' LEU . 3.3 m -116.87 117.6 30.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.416 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.576 ' CZ ' HG12 ' A' ' 95' ' ' VAL . 4.9 m-30 -105.72 65.08 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.6 p -87.75 -51.61 5.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.398 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.23 120.25 78.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 106.88 2.36 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.803 . . . . 0.0 111.052 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -169.2 -151.21 7.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.4 m -126.25 137.57 53.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 110.37 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.574 ' CE1' HG11 ' A' ' 48' ' ' VAL . 88.3 m-85 -129.62 98.65 4.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 54.9 m -80.94 105.98 12.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.444 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.567 ' CD1' ' O ' ' A' ' 93' ' ' GLY . 20.4 p90 -117.38 118.81 33.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.582 1.176 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.452 ' HB3' ' CG1' ' A' ' 92' ' ' VAL . 0.4 OUTLIER -117.55 -179.37 3.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.12 127.47 33.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 108.328 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.499 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -53.81 -51.8 73.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -75.02 -52.75 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -89.02 44.26 1.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.397 1.06 . . . . 0.0 109.619 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -64.67 -58.06 7.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.27 65.83 0.24 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.22 -48.5 0.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 0.732 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 151.13 43.89 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -145.3 99.31 3.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.764 . . . . 0.0 110.966 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.452 ' CG1' ' HB3' ' A' ' 82' ' ' TYR . 3.4 t -145.76 157.27 12.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.567 ' O ' ' CD1' ' A' ' 81' ' ' TYR . . . -139.79 123.96 2.6 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.552 1.158 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.91 109.48 22.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.576 HG12 ' CZ ' ' A' ' 73' ' ' PHE . 2.2 t -86.97 147.53 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.407 1.067 . . . . 0.0 109.362 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.4 t -140.27 136.66 37.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.558 1.162 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.544 HG21 ' CD2' ' A' ' 73' ' ' PHE . 97.8 t -123.07 139.64 49.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.229 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' C ' ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.435 ' N ' ' H ' ' A' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -74.83 123.57 25.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.573 1.17 . . . . 0.0 109.361 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.482 ' HB1' ' CG2' ' A' ' 23' ' ' ILE . . . -123.86 166.46 15.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.4 m -143.31 141.72 31.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.49 ' CG1' ' OH ' ' A' ' 81' ' ' TYR . 48.3 t -136.06 119.62 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.361 1.038 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -92.98 129.23 38.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 0.0 109.389 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.414 ' CE ' ' HA ' ' A' ' 33' ' ' ASN . 16.4 mtm -44.53 -73.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.3 -158.87 34.99 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.441 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -120.13 152.18 38.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 0.727 . . . . 0.0 110.01 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.71 66.17 1.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -154.68 -80.83 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.39 1.056 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.8 39.29 0.03 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.33 152.38 39.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.409 0.711 . . . . 0.0 109.338 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.42 99.69 12.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.441 ' CG2' ' HB2' ' A' ' 9' ' ' SER . 29.4 m -143.26 135.47 24.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.569 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 39.3 m-85 -90.03 115.13 27.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.475 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 11.0 tt0 -143.76 134.46 12.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.327 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.475 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -74.95 133.9 33.47 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.996 -0.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.421 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 89.5 p -55.64 -30.61 61.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.954 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 m -133.24 136.84 45.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.369 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.435 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -139.6 152.15 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.6 m -139.85 114.9 9.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 110.434 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.482 ' CG2' ' HB1' ' A' ' 3' ' ' ALA . 1.0 OUTLIER -124.49 -178.98 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.435 ' H ' ' N ' ' A' ' 1' ' ' ALA . 29.0 mttp -74.23 173.62 9.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.68 113.58 25.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.18 -22.85 6.62 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.12 179.58 4.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 0.762 . . . . 0.0 110.267 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.413 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 22.1 pm0 -123.75 170.13 10.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.515 HG23 ' CE2' ' A' ' 73' ' ' PHE . 44.4 t -136.53 132.03 48.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -98.75 162.42 13.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.441 ' CH2' ' HB3' ' A' ' 71' ' ' SER . 3.5 m-90 -125.97 172.72 9.7 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.4 t -143.59 140.22 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.414 ' HA ' ' CE ' ' A' ' 7' ' ' MET . 0.3 OUTLIER -77.61 140.85 39.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 9' ' ' SER . 4.4 t-20 -135.02 -179.53 5.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -74.76 -178.84 3.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.618 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 1.1 mm? 69.13 67.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.51 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -99.09 162.2 22.22 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.989 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.51 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.01 163.21 91.24 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.019 -2.492 . . . . 0.0 111.011 0.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.618 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -141.62 99.66 3.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.482 1.114 . . . . 0.0 109.663 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -99.43 174.1 6.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.424 ' CD1' ' CD1' ' A' ' 31' ' ' TRP . 96.5 mt -144.85 99.15 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 109.251 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.2 p -127.33 115.57 40.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.662 ' CD1' ' HB3' ' A' ' 79' ' ' TYR . 10.3 m-85 -71.74 143.71 49.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.565 ' HB1' ' CE2' ' A' ' 82' ' ' TYR . . . -110.13 106.76 16.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.49 96.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.4 m-20 -125.89 70.95 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.168 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.64 -10.6 27.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.573 HG11 ' CE1' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -110.8 -178.69 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.579 0.811 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.58 172.64 11.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.94 -63.51 1.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.64 -27.04 36.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.234 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.47 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 75.8 m -73.8 -51.31 16.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.597 1.186 . . . . 0.0 110.449 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.01 -11.5 60.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.1 -56.54 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -65.59 -27.82 68.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.477 ' CD1' ' O ' ' A' ' 72' ' ' THR . 0.5 OUTLIER -76.52 -25.79 54.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.6 p -86.36 158.55 19.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.062 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.551 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 76.4 m-70 -123.19 141.22 52.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.123 . . . . 0.0 109.595 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -122.03 56.18 1.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -124.53 -150.94 7.98 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.558 1.161 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.1 mp -138.77 -177.55 4.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 0.725 . . . . 0.0 109.32 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.08 98.57 3.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -129.28 -52.1 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.63 115.8 15.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.62 98.11 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 152.68 -21.55 0.81 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 111.06 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -74.88 122.79 23.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 0.746 . . . . 0.0 110.343 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.7 m -125.79 159.59 31.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.963 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.551 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 19.1 m-30 -122.13 167.02 13.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.409 1.068 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.429 ' O ' ' NE2' ' A' ' 58' ' ' HIS . 2.4 m -140.28 150.32 43.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.368 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.441 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 2.8 t -139.97 131.64 27.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.977 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.477 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 7.2 m -76.14 116.63 17.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.549 ' CZ ' HG12 ' A' ' 95' ' ' VAL . 4.6 m-30 -98.17 49.43 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.9 m -74.6 -70.12 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.414 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -53.17 118.51 14.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.271 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 100.31 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 0.0 111.04 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -158.81 -143.55 3.69 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.473 1.108 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 46' ' ' ASP . 6.1 t -132.51 140.02 48.16 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.445 0.732 . . . . 0.0 110.376 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.662 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 90.9 m-85 -138.67 120.83 15.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 80' ' ' THR . 0.7 OUTLIER -108.7 113.14 25.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.432 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.595 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 31.2 p90 -108.27 139.79 42.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.565 ' CE2' ' HB1' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -145.15 -179.75 6.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 111.018 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 87' ' ' ARG . 0.6 OUTLIER -81.89 113.09 19.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 108.257 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.533 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -43.27 -49.81 15.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.99 -43.41 0.4 Allowed 'Trans proline' 0 C--N 1.362 1.241 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.449 ' N ' ' CD2' ' A' ' 86' ' ' HIS . 0.2 OUTLIER -99.04 48.29 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.621 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 83' ' ' CYS . 9.6 ptt180 -84.71 1.84 44.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.52 1.137 . . . . 0.0 110.279 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -150.46 64.54 0.39 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.462 1.101 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -145.11 -46.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.238 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 146.63 44.25 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.569 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -145.28 98.96 3.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.77 . . . . 0.0 111.014 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.508 ' CG2' ' N ' ' A' ' 93' ' ' GLY . 0.2 OUTLIER -146.76 164.35 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.533 ' HA3' ' CE1' ' A' ' 81' ' ' TYR . . . -140.96 154.7 24.59 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -120.08 159.08 25.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 0.735 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.549 HG12 ' CZ ' ' A' ' 73' ' ' PHE . 7.2 t -141.34 145.77 24.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.423 1.077 . . . . 0.0 109.358 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.0 t -139.05 119.33 14.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.432 ' CG2' ' HB3' ' A' ' 73' ' ' PHE . 78.3 t -110.17 129.93 64.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -144.53 133.06 22.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.422 ' HB1' ' CG2' ' A' ' 29' ' ' VAL . . . -87.35 137.35 32.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 84.6 m -143.97 104.28 4.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.367 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.563 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 85.9 t -103.9 152.84 6.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.403 ' N ' HG13 ' A' ' 5' ' ' VAL . 1.7 pttm -127.75 117.53 22.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.365 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.544 ' HB3' ' CD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -75.3 119.09 18.95 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.26 107.87 0.05 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.2 p -45.01 153.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.749 . . . . 0.0 110.028 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -75.19 58.9 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.249 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 t -145.02 -66.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.0 43.11 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.72 136.48 25.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 0.797 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.43 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -88.25 100.38 12.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 m -144.12 132.33 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -80.42 110.95 16.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.602 1.189 . . . . 0.0 111.054 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -142.5 130.28 11.37 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.04 132.53 27.87 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.926 -2.531 . . . . 0.0 110.986 -0.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.432 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 83.5 p -54.93 -35.15 63.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.7 m -125.11 118.96 27.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.399 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -121.82 129.75 75.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.8 m -113.81 107.71 16.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.391 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.573 HD12 ' CD2' ' A' ' 73' ' ' PHE . 5.2 pt -116.29 -179.44 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -74.93 177.0 6.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.13 88.7 4.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.24 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 142.03 -13.03 2.6 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.554 1.159 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.57 -179.81 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.248 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.497 ' CG ' ' N ' ' A' ' 29' ' ' VAL . 16.1 tt0 -121.98 159.72 26.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.215 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.497 ' N ' ' CG ' ' A' ' 28' ' ' GLU . 64.7 t -125.81 114.18 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -90.13 145.48 25.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.363 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.563 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 2.8 m-90 -123.32 144.96 49.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 108.011 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.5 t -127.5 138.43 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -101.58 129.01 47.59 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -115.2 -83.45 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.51 179.92 4.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.327 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.5 OUTLIER 59.68 62.06 1.81 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.575 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -106.49 165.14 13.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.03 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.575 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.11 164.3 88.67 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.927 -2.531 . . . . 0.0 110.954 0.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.544 ' CD2' ' HB3' ' A' ' 7' ' ' MET . 1.6 m-70 -125.0 122.19 36.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.552 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 58' ' ' HIS . 20.7 t-20 -110.92 169.38 8.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.539 HD11 ' CG ' ' A' ' 31' ' ' TRP . 56.0 mt -142.53 98.23 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.469 ' CG1' ' HG2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -110.47 130.54 63.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.253 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.626 ' CE2' ' CB ' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -92.75 91.64 7.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 111.013 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . . . -74.63 103.55 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.19 97.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 44' ' ' ALA . 2.7 m-20 -115.56 68.97 0.72 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.13 -22.34 27.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.587 HG13 ' CD1' ' A' ' 79' ' ' TYR . 2.5 p -92.46 -179.88 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.15 132.29 41.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.7 -37.68 79.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.87 -40.18 91.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.495 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 12.6 m -69.44 -51.28 37.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.41 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.501 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -59.48 -26.21 65.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.73 -39.31 80.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -75.8 -42.43 50.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.6 ' HB3' ' CE2' ' A' ' 43' ' ' PHE . 7.2 mp -78.71 0.5 26.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 1.1 m -92.06 146.53 23.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.453 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 46.6 m-70 -136.34 100.19 4.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.597 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 24.8 mttt -101.27 9.96 41.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.45 -60.57 8.3 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 80.04 131.7 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -121.86 134.97 54.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 109.229 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.436 ' N ' ' CD1' ' A' ' 63' ' ' PHE . 6.2 m-30 -110.51 34.84 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.69 159.6 41.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -101.46 98.92 9.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 155.85 -24.72 0.56 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.525 1.141 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -75.02 134.75 41.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 110.316 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 3.6 m -118.89 179.18 4.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.046 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.612 ' CD1' ' N ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -136.26 149.21 48.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 p -129.87 145.42 51.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.4 t -139.4 142.06 37.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.997 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.1 m -96.78 113.78 25.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 110.369 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CE2' ' CG1' ' A' ' 95' ' ' VAL . 4.8 m-30 -96.78 64.55 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 45.7 m -81.6 -55.25 4.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.365 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -73.12 128.2 88.11 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 126.84 10.23 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.986 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 167.43 -170.22 41.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.103 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.2 m -114.86 126.45 54.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 110.446 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.626 ' CB ' ' CE2' ' A' ' 43' ' ' PHE . 96.8 m-85 -116.44 101.41 8.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.3 m -75.71 93.56 3.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.413 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 20.7 p90 -104.28 131.97 51.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -135.02 179.99 5.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 110.974 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.86 129.81 34.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 108.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.4 OUTLIER -56.12 -52.21 74.52 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -75.04 -48.64 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.495 1.787 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.99 54.25 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.569 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.04 -57.91 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.17 67.57 0.54 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.49 -47.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 144.51 44.91 0.04 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.81 99.28 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 0.799 . . . . 0.0 110.954 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.1 t -145.99 158.88 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -129.33 161.54 22.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -133.13 99.2 4.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 0.764 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.578 ' CG1' ' CE2' ' A' ' 73' ' ' PHE . 2.4 t -77.94 151.54 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.6 t -145.0 103.19 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.357 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.565 HG22 ' CD2' ' A' ' 73' ' ' PHE . 30.0 t -90.03 143.45 11.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.1 t70 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -144.58 178.66 7.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.45 120.59 26.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 54.4 m -90.78 128.47 36.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.365 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.476 HG13 ' CD1' ' A' ' 31' ' ' TRP . 70.8 t -136.69 102.95 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.66 147.28 37.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 54.3 mtm -110.95 40.88 1.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 150.0 106.98 0.39 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.435 1.084 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.3 p -41.3 155.92 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 110.074 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -75.78 60.32 1.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.219 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.5 t -148.93 -69.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.06 46.8 0.02 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.514 1.134 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.23 121.79 14.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 0.762 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.02 101.58 7.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.4 m -143.09 137.5 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.436 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 20.4 m-85 -85.63 103.46 14.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.454 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -133.8 127.78 19.53 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.568 1.168 . . . . 0.0 110.209 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.462 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.96 137.79 52.33 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.032 -0.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.9 p -60.44 -22.97 64.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.5 m -140.27 127.4 20.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.381 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.462 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -130.72 147.04 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.43 1.082 . . . . 0.0 109.345 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.3 m -132.06 100.01 4.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.478 HD11 ' CB ' ' A' ' 73' ' ' PHE . 1.1 pp -108.36 -179.38 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -78.46 175.36 10.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.242 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.4 115.8 27.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.67 -19.96 8.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.426 1.079 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.76 175.39 8.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 0.0 110.334 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -116.45 176.1 5.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.513 HG21 ' CE2' ' A' ' 73' ' ' PHE . 3.9 t -144.88 142.56 22.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.425 ' CG ' ' HB2' ' A' ' 68' ' ' SER . 2.0 ttpt -115.28 155.31 27.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.476 ' CD1' HG13 ' A' ' 5' ' ' VAL . 10.6 m-90 -129.45 108.32 10.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.6 p -89.75 137.92 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 46.0 p30 -103.45 166.54 10.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -146.9 -66.71 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -145.28 -179.14 6.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.577 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 2.2 mm? 67.66 47.91 1.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.556 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -95.77 164.44 18.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 110.025 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.556 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.06 159.13 98.4 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 120.943 -2.524 . . . . 0.0 110.993 0.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 2.2 m-70 -125.45 99.62 6.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.646 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -90.82 171.18 9.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 66.4 mt -140.28 99.35 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.416 ' CG2' ' HG3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -114.02 105.94 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.594 ' CD1' ' HB3' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -77.23 104.9 8.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.406 1.066 . . . . 0.0 111.019 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.538 ' HB1' ' CE2' ' A' ' 82' ' ' TYR . . . -82.45 108.76 16.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' ALA . . . -40.08 96.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 44' ' ' ALA . 18.6 m-20 -124.46 63.45 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.38 -24.31 5.9 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.569 HG12 ' CD1' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -102.54 177.29 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.768 . . . . 0.0 109.273 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.6 141.37 44.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.231 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -61.0 -41.46 96.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -62.09 -60.11 4.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.504 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -53.21 -36.18 60.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.419 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.444 ' HB1' ' CG1' ' A' ' 48' ' ' VAL . . . -79.6 -21.02 45.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.217 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -60.55 -39.91 89.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -79.41 -55.57 4.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.407 ' CD2' ' O ' ' A' ' 72' ' ' THR . 5.0 mt -49.79 -34.21 18.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 77.8 p -78.44 141.97 37.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.037 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -108.04 179.64 4.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 109.586 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -173.39 34.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.28 -123.72 4.85 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.583 1.177 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.555 HD23 ' CE1' ' A' ' 63' ' ' PHE . 4.4 tp -171.79 157.83 4.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 0.783 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.22 110.91 7.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.555 ' CE1' HD23 ' A' ' 61' ' ' LEU . 9.1 m-85 -136.27 38.18 2.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 111.043 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.31 117.15 8.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.63 101.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 118.1 39.47 0.75 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.71 102.49 8.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 110.302 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.425 ' HB2' ' CG ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -111.74 138.34 48.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.994 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -89.64 177.96 6.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.1 m -141.32 151.58 43.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 1.072 . . . . 0.0 110.428 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.45 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 7.3 t -144.97 143.63 30.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.999 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.407 ' O ' ' CD2' ' A' ' 56' ' ' LEU . 21.1 m -94.11 114.82 27.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.341 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.582 ' CZ ' HG13 ' A' ' 95' ' ' VAL . 4.5 m-30 -97.24 50.98 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -72.6 -70.28 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.72 123.77 76.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 118.72 5.37 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.498 1.788 . . . . 0.0 111.041 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.64 -149.14 6.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 m -137.89 101.47 4.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 110.463 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.594 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 94.9 m-85 -98.54 131.87 44.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.2 m -109.32 117.85 35.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.402 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.578 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 31.7 p90 -114.93 141.3 48.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.538 ' CE2' ' HB1' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -144.11 179.86 6.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 111.004 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 1.055 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 3.5 m -88.86 124.92 34.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.581 1.176 . . . . 0.0 108.265 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.479 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 2.2 mt-10 -42.96 -52.57 11.38 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.523 ' HG2' ' CE1' ' A' ' 86' ' ' HIS . 18.2 Cg_endo -74.98 -30.38 7.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.523 ' CE1' ' HG2' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -116.35 68.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.143 . . . . 0.0 109.599 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.27 -50.14 4.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.294 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -110.61 48.17 0.97 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -111.67 -36.96 5.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 146.34 -30.29 1.6 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.103 . . . . 0.0 111.029 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 1.055 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.1 OUTLIER -80.95 101.16 9.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 0.796 . . . . 0.0 111.019 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.459 ' CG1' ' HB3' ' A' ' 82' ' ' TYR . 2.6 t -145.31 156.62 13.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.454 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -118.19 171.63 14.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.11 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.98 128.93 20.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.582 HG13 ' CZ ' ' A' ' 73' ' ' PHE . 76.2 t -106.09 145.03 14.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.5 t -142.73 100.96 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 61.0 t -94.1 145.37 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.546 1.154 . . . . 0.0 109.366 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . 0.61 'CU ' ' SG ' ' A' ' 83' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -144.14 176.75 9.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.25 148.14 26.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.3 m -119.1 141.91 48.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.139 . . . . 0.0 110.365 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.422 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 38.8 t -139.8 119.21 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.0 120.81 40.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 39' ' ' HIS . 53.2 mtm -92.54 75.86 5.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 127.25 109.08 1.55 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.9 p -40.66 152.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 0.732 . . . . 0.0 109.979 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -74.94 61.57 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.76 -57.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.041 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.98 50.98 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.6 126.89 26.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 0.719 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . 3.2 pp -74.5 99.72 3.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.1 m -145.84 145.93 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.637 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 2.8 m-85 -94.0 116.93 29.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.511 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -144.35 139.43 15.7 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.338 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.02 134.37 35.64 Favored 'Cis proline' 0 C--N 1.359 1.106 0 C-N-CA 121.03 -2.487 . . . . 0.0 110.952 0.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.428 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 13.8 t -49.83 -30.5 9.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -135.95 123.36 22.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.465 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -123.98 133.16 70.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 m -131.11 108.59 9.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.439 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.468 HD13 ' CB ' ' A' ' 73' ' ' PHE . 1.1 pt -120.02 -179.85 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -78.65 175.4 10.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.28 131.02 38.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.23 -25.54 21.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.21 179.7 4.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 0.74 . . . . 0.0 110.331 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -127.3 171.14 11.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.57 HG22 ' CE2' ' A' ' 73' ' ' PHE . 3.2 t -126.68 162.74 30.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.447 1.092 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.48 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 7.9 ttmt -133.06 141.86 48.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.643 ' CZ3' ' NE2' ' A' ' 58' ' ' HIS . 7.1 m-90 -111.3 160.05 17.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 108.008 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 5' ' ' VAL . 32.9 t -145.16 111.77 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.374 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.417 ' ND2' ' HB2' ' A' ' 62' ' ' ALA . 66.6 t30 -74.69 161.16 29.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -137.8 -86.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -138.14 -179.34 5.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.412 1.07 . . . . 0.0 109.352 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.602 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 2.8 mm? 68.4 39.36 2.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.621 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -77.51 167.31 37.31 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.025 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.621 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.01 167.37 80.64 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.984 0.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.602 ' CE1' ' O ' ' A' ' 36' ' ' LEU . 2.3 m-70 -140.38 100.32 3.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 109.552 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -105.91 161.81 14.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.568 ' HB ' ' CE1' ' A' ' 58' ' ' HIS . 2.1 mp -114.16 112.93 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.456 ' CG1' ' HG2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -120.36 101.63 11.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.617 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -80.22 97.99 7.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.525 1.141 . . . . 0.0 111.039 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.57 ' HB2' ' CE2' ' A' ' 82' ' ' TYR . . . -74.69 102.75 4.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.442 ' CB ' ' HA ' ' A' ' 50' ' ' ALA . . . -39.3 97.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 44' ' ' ALA . 10.7 t70 -125.9 75.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.27 -29.75 6.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.582 HG12 ' CD1' ' A' ' 79' ' ' TYR . 2.4 p -99.87 -179.55 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.529 0.782 . . . . 0.0 109.357 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.62 136.17 41.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.442 ' HA ' ' CB ' ' A' ' 45' ' ' ALA . . . -58.55 -52.0 67.5 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.72 -47.37 59.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.373 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.484 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 85.7 m -59.63 -50.36 74.16 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.418 1.074 . . . . 0.0 110.374 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.64 -16.8 64.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -68.13 -44.77 75.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -81.61 -44.18 17.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.571 HD12 ' CE1' ' A' ' 79' ' ' TYR . 3.4 mt -56.44 -18.44 11.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 86.3 p -90.23 149.73 22.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.975 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.643 ' NE2' ' CZ3' ' A' ' 31' ' ' TRP . 1.4 p80 -144.76 99.57 3.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.515 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.456 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 0.4 OUTLIER -80.44 54.67 2.09 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.54 ' HA3' ' CZ ' ' A' ' 69' ' ' PHE . . . -86.96 128.1 8.76 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.461 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 4.2 mm? -79.74 123.66 27.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 0.782 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.417 ' HB2' ' ND2' ' A' ' 33' ' ' ASN . . . -89.24 100.55 13.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 6.4 m-85 -121.09 -40.96 2.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.573 1.17 . . . . 0.0 111.062 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.79 118.55 30.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.7 98.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.246 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 134.13 44.63 0.12 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.4 111.24 16.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 0.735 . . . . 0.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.5 p -112.07 139.07 47.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.962 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.54 ' CZ ' ' HA3' ' A' ' 60' ' ' GLY . 29.8 m-85 -106.21 175.24 5.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.5 m -144.89 151.86 39.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.569 1.168 . . . . 0.0 110.415 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.419 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 8.1 t -141.27 135.59 30.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.172 . . . . 0.0 109.97 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.49 ' O ' ' CD2' ' A' ' 56' ' ' LEU . 13.1 m -81.06 118.84 22.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.354 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.591 ' CZ ' HG11 ' A' ' 95' ' ' VAL . 4.0 m-30 -104.58 50.1 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 p -73.99 -69.26 0.45 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.64 119.19 41.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.275 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 111.38 3.31 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.462 1.769 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -157.3 -140.58 2.97 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 86.4 m -144.93 93.17 2.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 0.73 . . . . 0.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.617 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 94.5 m-85 -90.83 135.55 33.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.077 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 21.1 m -116.18 112.6 21.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 110.436 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.585 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 32.3 p90 -114.56 142.84 45.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -145.4 -179.95 6.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 111.0 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.593 ' SG ' ' CE1' ' A' ' 86' ' ' HIS . 0.7 OUTLIER -86.26 155.9 20.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 108.305 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 6.2 mt-10 -80.85 -47.31 1.18 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 0.0 110.266 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.09 0.5 8.87 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.513 1.796 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 1.274 ' CE1' 'CU ' ' A' ' 132' ' ' ' CU' . 0.8 OUTLIER -171.78 83.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.578 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.17 11.41 37.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.64 37.97 0.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.095 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.84 32.68 5.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 109.243 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 97.72 6.53 57.2 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.637 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -122.81 99.69 6.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 111.016 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.446 ' O ' ' CB ' ' A' ' 16' ' ' PHE . 58.0 t -146.05 168.46 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.252 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.413 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -150.44 132.5 3.96 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -116.61 121.2 41.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.744 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.591 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 55.9 t -105.11 146.73 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.2 t -145.32 101.63 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.442 HG21 ' CD2' ' A' ' 73' ' ' PHE . 31.4 t -93.66 144.62 9.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . 1.274 'CU ' ' CE1' ' A' ' 86' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.415 ' N ' ' HG3' ' A' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -76.03 128.53 35.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.465 ' CB ' ' CG2' ' A' ' 23' ' ' ILE . . . -116.48 163.89 15.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.4 m -144.84 139.31 27.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.417 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 4.1 t -141.55 122.1 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -94.89 101.12 12.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.442 ' O ' ' CG ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -50.57 97.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.18 -173.52 19.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.561 1.163 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.9 p -102.27 159.92 14.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 0.74 . . . . 0.0 109.928 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.43 69.16 1.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.0 t 70.48 103.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.96 -72.59 0.22 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.6 173.59 11.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.777 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.14 100.85 11.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.5 m -145.4 132.79 15.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.598 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 52.2 m-85 -75.44 123.09 24.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.45 ' HA ' ' N ' ' A' ' 19' ' ' SER . 8.1 tp10 -143.2 126.93 9.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.464 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.02 130.62 21.75 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.007 -0.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.45 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 82.6 p -48.87 -38.1 21.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.025 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.5 m -126.3 128.04 46.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.464 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 1.1 m -129.76 144.49 37.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.2 m -133.64 111.21 10.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.368 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.466 HD11 ' CD2' ' A' ' 73' ' ' PHE . 1.1 pt -119.32 -179.06 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 1' ' ' ALA . 10.9 mttt -74.64 176.79 6.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.467 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . . . -101.09 90.85 4.29 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 148.24 -17.83 1.34 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -81.81 179.39 7.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 0.796 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -120.52 176.11 5.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.275 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.9 t -136.43 127.82 43.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -101.71 136.67 41.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.382 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.433 ' O ' ' CB ' ' A' ' 68' ' ' SER . 1.0 OUTLIER -106.31 172.39 6.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 108.039 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.1 t -144.15 136.12 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -75.64 113.26 12.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -107.96 -165.9 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -77.33 -178.94 5.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.529 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 2.2 mm? 69.36 53.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.508 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -97.35 162.13 23.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.966 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.53 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.3 Cg_endo -75.07 163.7 90.07 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 120.962 -2.516 . . . . 0.0 111.009 0.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -139.03 129.0 25.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.571 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -119.26 169.63 9.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.573 ' HB ' ' CE1' ' A' ' 58' ' ' HIS . 2.4 mp -133.13 99.72 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.217 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.39 113.7 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.623 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -89.66 98.51 11.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . . . -76.5 104.54 7.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.64 97.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 44' ' ' ALA . 41.1 t0 -122.44 75.24 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.41 -26.52 8.56 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.464 1.103 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.48 HG11 ' CD2' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -101.29 179.84 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 0.792 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.34 143.51 40.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.461 1.101 . . . . 0.0 109.355 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.37 -67.66 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.5 -41.29 1.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.461 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 2.9 m -60.64 -71.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -48.13 -24.41 1.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 52' ' ' THR . . . -57.37 -70.41 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -56.49 -25.5 51.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.564 HD12 ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -79.46 -19.35 50.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.407 1.067 . . . . 0.0 109.277 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 53' ' ' ALA . 87.1 p -91.62 140.78 29.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.994 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.573 ' CE1' ' HB ' ' A' ' 41' ' ' ILE . 0.3 OUTLIER -128.57 99.48 5.39 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.606 1.191 . . . . 0.0 109.659 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.13 -32.96 59.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.66 110.22 0.1 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 2.0 mm? -69.66 158.42 35.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.276 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.44 122.43 15.59 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 3.5 m-85 -122.34 34.56 5.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.941 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.12 128.56 26.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.75 86.54 3.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.409 1.068 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 164.08 -30.96 0.25 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -78.25 111.28 14.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 0.3 OUTLIER -105.62 172.52 6.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -121.38 171.15 8.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.6 m -144.64 153.57 41.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 55.6 p -144.76 162.98 35.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.971 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.4 m -115.8 110.83 19.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.38 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.564 ' CE2' HG12 ' A' ' 95' ' ' VAL . 4.5 m-30 -95.5 58.62 2.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 m -80.41 -65.96 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.19 122.52 70.51 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 106.23 2.23 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.537 1.809 . . . . 0.0 111.007 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.56 -152.08 5.93 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.546 1.154 . . . . 0.0 111.017 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 m -136.06 100.22 4.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 0.765 . . . . 0.0 110.361 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.623 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 78.5 m-85 -95.37 137.02 35.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.7 p -122.0 108.73 13.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.376 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.598 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 32.7 p90 -111.06 129.01 56.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 0.0 111.013 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.559 ' CD1' ' HG2' ' A' ' 87' ' ' ARG . 0.3 OUTLIER -133.55 -179.43 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.945 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 86' ' ' HIS . 0.5 OUTLIER -93.15 133.88 35.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 108.305 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.506 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 4.5 mt-10 -51.17 -51.62 66.44 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.568 1.168 . . . . 0.0 110.264 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -74.97 -17.03 19.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.481 1.779 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 83' ' ' CYS . 0.9 OUTLIER -131.07 65.8 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.618 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.559 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 12.3 mtp180 -86.08 -51.46 6.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 110.256 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -121.33 38.95 2.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -97.99 -40.11 8.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 154.81 -32.56 0.68 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.56 1.162 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -83.21 98.72 9.53 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.446 0.733 . . . . 0.0 110.943 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.472 ' CG1' ' N ' ' A' ' 93' ' ' GLY . 54.2 t -146.47 165.48 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.472 ' N ' ' CG1' ' A' ' 92' ' ' VAL . . . -126.72 155.29 19.56 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.428 1.08 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.38 109.08 8.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 0.732 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.564 HG12 ' CE2' ' A' ' 73' ' ' PHE . 2.2 t -97.44 147.27 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.1 t -145.49 116.87 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.467 ' CG1' ' HA ' ' A' ' 25' ' ' ALA . 19.9 t -102.4 149.54 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -75.02 164.09 26.91 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 109.375 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.475 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . . . -77.49 145.96 36.72 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.3 m -137.84 129.74 28.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.559 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 61.2 t -126.85 145.25 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -114.62 128.84 56.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.2 ptp -93.57 45.77 1.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.451 ' O ' ' ND2' ' A' ' 34' ' ' ASN . . . 162.09 97.66 0.12 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.52 1.138 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.7 p -48.43 148.95 1.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 109.972 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.71 59.92 1.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.6 -62.1 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.987 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.82 44.19 0.02 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.569 1.168 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.93 124.49 13.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 0.792 . . . . 0.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.464 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -76.14 99.9 4.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.3 m -138.49 153.7 26.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.542 ' CD1' ' CE ' ' A' ' 91' ' ' MET . 11.2 m-85 -103.84 101.8 11.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 111.052 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.506 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.9 tt0 -136.33 137.2 23.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.343 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.0 Cg_endo -75.03 133.53 31.82 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.946 -2.522 . . . . 0.0 110.96 0.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.44 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 56.4 p -54.91 -36.0 64.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.459 1.099 . . . . 0.0 110.005 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.1 m -123.54 120.83 34.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.452 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.447 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 1.3 m -126.78 128.89 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.3 m -120.19 116.31 25.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 3' ' ' ALA . 1.1 pt -121.39 -179.28 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -75.37 175.91 7.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.13 102.67 14.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 135.76 -22.64 3.46 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.496 1.122 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.35 -179.35 4.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.743 . . . . 0.0 110.276 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.51 177.79 6.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.451 ' CG2' ' HB1' ' A' ' 3' ' ' ALA . 24.7 t -138.51 155.43 28.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -134.96 136.21 42.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.207 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.559 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 22.7 m-90 -107.84 126.28 52.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 108.027 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.1 t -104.08 128.28 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -88.51 153.77 20.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.234 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 8' ' ' GLY . 6.3 m-20 -131.61 -73.31 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.1 176.81 9.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.61 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 1.3 mt 72.06 69.43 0.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.547 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -110.69 163.63 16.79 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.547 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.93 162.31 93.08 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.023 -2.49 . . . . 0.0 111.052 -0.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.61 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -133.2 124.34 27.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.594 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.464 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.4 OUTLIER -119.58 163.57 17.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.232 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mt -128.01 99.8 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.59 120.51 57.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.607 ' CD1' ' HB3' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -92.28 103.45 15.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . . . -79.67 106.07 11.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' ALA . . . -39.8 97.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -131.7 72.59 1.5 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.44 -12.55 9.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.568 HG12 ' CD2' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -122.17 179.63 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.524 0.779 . . . . 0.0 109.339 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.98 149.65 39.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.356 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -64.98 -50.64 65.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -55.29 -52.28 63.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.507 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 1.3 m -57.55 -30.41 65.2 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.411 1.07 . . . . 0.0 110.378 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -86.45 -18.83 30.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -61.26 -51.46 68.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.28 -52.73 14.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.459 HD12 ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -50.2 -33.85 20.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 76.6 p -77.37 149.23 35.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 110.049 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -120.04 -179.81 4.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.692 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -166.37 -50.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -40.59 99.23 0.01 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.467 1.104 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.413 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 2.2 mm? -52.99 155.1 2.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 0.745 . . . . 0.0 109.337 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -129.76 137.53 50.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.413 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 4.6 m-85 -127.85 45.39 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.92 100.24 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.86 82.39 0.2 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.67 -35.28 0.1 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.451 1.095 . . . . 0.0 110.955 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.14 160.34 30.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 0.759 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 3.3 p -145.19 133.27 21.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.011 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -78.65 166.42 22.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 53.7 m -132.29 160.6 35.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.358 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.415 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 5.6 t -145.55 147.08 31.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.568 ' CG2' ' CG2' ' A' ' 74' ' ' THR . 99.4 m -92.7 128.15 38.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.156 . . . . 0.0 110.382 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.586 ' CD2' HG21 ' A' ' 97' ' ' VAL . 3.2 m-85 -117.46 41.59 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.568 ' CG2' ' CG2' ' A' ' 72' ' ' THR . 61.3 p -67.72 -70.23 0.27 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.427 1.08 . . . . 0.0 110.414 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.404 ' N ' ' OG1' ' A' ' 74' ' ' THR . 8.2 tt0 -67.99 132.18 92.17 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 125.79 9.57 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.42 1.747 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -166.18 -161.08 14.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.5 m -133.22 94.48 3.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 0.76 . . . . 0.0 110.413 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.607 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 74.6 m-85 -93.08 138.13 31.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 111.054 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.5 m -121.4 109.44 14.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 110.375 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.593 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 30.4 p90 -112.76 138.78 49.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.14 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.56 ' CD1' ' HG3' ' A' ' 87' ' ' ARG . 0.4 OUTLIER -145.07 -179.8 6.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -78.86 120.1 22.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 108.332 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.547 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -46.32 -49.05 44.63 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.08 -57.86 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.407 ' ND1' HD13 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -82.06 53.08 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.61 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.56 ' HG3' ' CD1' ' A' ' 82' ' ' TYR . 14.3 ttp-105 -91.63 33.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.336 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 169.51 56.15 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -144.04 -53.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.43 39.99 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.444 1.09 . . . . 0.0 110.972 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.542 ' CE ' ' CD1' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -144.57 99.13 3.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.595 0.82 . . . . 0.0 110.999 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 45.7 t -145.81 165.18 10.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -148.63 149.36 21.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.571 1.169 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.93 108.11 7.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.75 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.583 HG13 ' CZ ' ' A' ' 73' ' ' PHE . 1.5 t -89.81 152.7 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.3 t -145.98 105.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.586 HG21 ' CD2' ' A' ' 73' ' ' PHE . 37.3 t -89.4 145.03 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -115.77 176.9 4.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.382 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.463 ' CB ' HG22 ' A' ' 29' ' ' VAL . . . -84.05 120.14 25.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.0 m -93.01 126.81 38.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.464 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.467 ' CG2' HG11 ' A' ' 21' ' ' VAL . 24.6 t -137.92 104.42 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.15 124.43 33.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.4 ptt? -83.84 45.49 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 174.87 158.21 18.31 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.478 ' OG ' ' CG2' ' A' ' 15' ' ' VAL . 10.9 m -105.02 138.72 40.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 0.809 . . . . 0.0 109.96 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -74.78 62.45 1.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.07 -63.03 0.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 110.014 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.99 44.36 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.455 1.097 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.4 162.16 37.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.761 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.75 101.9 10.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.478 ' CG2' ' OG ' ' A' ' 9' ' ' SER . 12.1 m -143.29 177.65 2.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.417 1.073 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.546 ' CD2' ' HE3' ' A' ' 91' ' ' MET . 61.6 m-85 -121.95 119.47 31.61 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.468 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.7 OUTLIER -145.3 130.55 9.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.266 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.468 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -74.99 136.57 45.84 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.014 -2.494 . . . . 0.0 110.995 -0.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.2 p -55.35 -35.1 64.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.068 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.4 ' C ' HG12 ' A' ' 21' ' ' VAL . 5.4 m -132.24 141.4 49.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.393 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.467 HG11 ' CG2' ' A' ' 5' ' ' VAL . 0.9 OUTLIER -142.86 153.27 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.2 m -131.85 100.99 5.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.391 1.057 . . . . 0.0 110.432 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 27' ' ' GLU . 1.4 pp -110.46 -179.45 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -76.35 179.79 5.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.76 104.71 15.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 119.99 11.63 6.87 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -94.51 -179.86 5.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 0.735 . . . . 0.0 110.27 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.435 ' CD ' ' O ' ' A' ' 71' ' ' SER . 3.3 tp10 -122.29 146.14 47.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.581 HG12 ' CZ3' ' A' ' 31' ' ' TRP . 16.1 t -121.76 128.02 75.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.442 ' CG ' ' HB3' ' A' ' 68' ' ' SER . 1.3 ttmp? -99.95 149.47 23.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.581 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 5.2 m-90 -123.5 128.53 49.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 108.018 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.1 t -87.92 134.49 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.38 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -77.78 119.78 21.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -101.61 -173.78 2.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' C ' ' CD1' ' A' ' 36' ' ' LEU . 3.2 mmmt -79.97 178.86 7.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.401 ' CD1' ' C ' ' A' ' 35' ' ' LYS . 2.0 mp 75.45 34.18 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.382 1.051 . . . . 0.0 109.26 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.483 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -68.38 160.98 73.1 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.945 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 63' ' ' PHE . 18.4 Cg_endo -75.0 150.8 96.04 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 121.047 -2.48 . . . . 0.0 110.983 -0.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -132.18 100.76 5.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 109.589 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.401 ' ND2' HG22 ' A' ' 42' ' ' VAL . 11.8 p-10 -100.14 177.19 5.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.238 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.511 HD11 ' CG ' ' A' ' 31' ' ' TRP . 7.3 mt -137.35 103.32 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.401 HG22 ' ND2' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -106.82 125.55 62.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.613 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -100.48 95.82 6.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.954 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.484 ' CB ' ' OH ' ' A' ' 82' ' ' TYR . . . -75.19 127.38 33.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.14 95.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' ALA . 52.9 t0 -119.46 52.81 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.09 -9.13 7.08 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.547 HG13 ' CE2' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -120.57 176.58 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.95 141.57 42.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.07 -28.06 69.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.389 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -69.08 -60.72 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.497 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -59.27 -24.85 63.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.413 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.417 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . . . -85.06 -20.92 29.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.31 -52.52 58.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.04 -37.13 78.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.4 HD12 ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -70.67 -22.74 62.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.409 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.1 m -81.18 157.25 25.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.423 ' ND1' ' CD1' ' A' ' 69' ' ' PHE . 65.5 m-70 -134.23 100.27 4.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.59 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -84.55 -53.43 5.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -40.24 105.04 0.05 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.457 1.098 . . . . 0.0 111.05 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -50.66 179.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 0.0 109.246 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.24 133.78 22.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 109.232 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.574 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 11.1 m-85 -130.54 39.42 3.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.29 127.63 19.87 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.43 77.88 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.21 -33.58 0.1 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -74.54 151.59 39.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 110.321 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 67.1 m -135.54 139.52 44.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.423 ' CD1' ' ND1' ' A' ' 58' ' ' HIS . 0.8 OUTLIER -81.32 170.51 15.94 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.93 144.67 35.31 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.423 1.077 . . . . 0.0 110.409 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.435 ' O ' ' CD ' ' A' ' 28' ' ' GLU . 1.3 p -141.78 160.31 40.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.7 m -110.48 127.66 55.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.393 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CZ ' HG11 ' A' ' 95' ' ' VAL . 4.6 m-30 -106.34 52.4 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.6 m -72.28 -61.34 1.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 110.447 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.26 119.49 62.46 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 106.22 2.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.79 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.0 -148.57 5.09 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 51.5 m -138.48 99.3 3.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 0.728 . . . . 0.0 110.453 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.608 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 69.1 m-85 -89.71 145.43 25.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 111.083 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.6 m -129.9 111.93 13.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.355 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.613 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 29.5 p90 -114.11 139.33 49.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.484 ' OH ' ' CB ' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -137.1 177.91 7.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.951 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 1.28 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 94.4 m -82.05 133.04 35.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 108.335 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 1.1 mt-10 -57.18 -50.53 87.65 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.11 -46.52 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.503 1.791 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.35 42.81 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.596 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -68.05 -53.28 26.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 110.34 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -110.15 52.45 0.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.39 -41.8 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 138.35 45.05 0.08 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.567 1.167 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 1.28 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.3 OUTLIER -144.9 99.65 3.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 111.048 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 38.3 t -146.0 169.54 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -135.71 175.56 20.71 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -144.74 134.87 24.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 0.0 109.246 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.572 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 2.1 t -120.86 148.61 23.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.6 t -138.51 113.69 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.502 HG23 ' CD2' ' A' ' 73' ' ' PHE . 89.2 t -96.31 142.08 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.431 ' N ' HG11 ' A' ' 97' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.59 173.51 9.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.231 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.489 ' CB ' HG22 ' A' ' 23' ' ' ILE . . . -77.63 148.2 35.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.9 m -131.26 149.55 52.52 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 0.0 110.369 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.4 t -144.14 111.61 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.76 137.38 32.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.438 ' HE3' ' CB ' ' A' ' 39' ' ' HIS . 11.9 tmm? -111.24 121.09 44.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 111.014 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 9' ' ' SER . . . 84.95 91.73 0.8 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.431 1.082 . . . . 0.0 111.008 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 8' ' ' GLY . 80.9 p -38.25 151.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 0.735 . . . . 0.0 110.024 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -74.79 58.53 0.83 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.47 -65.02 0.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.041 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.16 45.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.556 1.16 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.11 120.09 10.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.59 100.91 4.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.2 m -144.94 135.3 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.592 1.182 . . . . 0.0 109.218 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.573 ' CE2' ' HG2' ' A' ' 91' ' ' MET . 93.2 m-85 -84.93 117.75 24.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.458 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.4 mt-10 -145.33 126.18 7.44 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.458 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.0 134.8 37.6 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.998 -2.501 . . . . 0.0 111.048 -0.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.9 p -64.3 -29.74 70.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.952 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.7 m -124.57 124.69 42.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -133.46 138.07 51.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.225 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -126.15 101.41 6.75 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 0.0 110.389 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.598 HD13 ' CD2' ' A' ' 73' ' ' PHE . 2.0 pt -111.62 -178.57 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.157 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -73.69 177.24 5.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.469 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . . . -99.02 91.51 5.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 145.66 -16.47 1.81 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.465 1.103 . . . . 0.0 111.047 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.455 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 3.2 tt0 -75.19 179.22 5.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.754 . . . . 0.0 110.315 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -123.95 153.88 40.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.576 HG21 ' CE2' ' A' ' 73' ' ' PHE . 10.7 t -127.25 129.24 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.29 148.35 24.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -115.64 101.54 8.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 1.146 . . . . 0.0 107.986 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.5 t -85.99 148.46 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.248 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -121.3 171.82 8.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.245 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -152.61 -69.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.483 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -131.04 -179.71 5.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.601 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 2.3 mm? 66.38 69.95 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.565 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -131.1 164.27 43.44 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.985 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.565 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.02 163.84 89.77 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.963 -2.515 . . . . 0.0 111.032 -0.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.601 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -145.39 135.63 23.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 109.625 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -105.94 175.18 5.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 74.9 mt -142.43 99.22 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.426 ' CG1' ' HG2' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -112.75 122.42 66.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.614 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -92.97 100.71 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 111.042 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.498 ' CB ' ' OH ' ' A' ' 82' ' ' TYR . . . -75.96 132.19 40.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.0 91.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -119.16 78.0 1.25 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.17 -26.53 16.68 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.57 HG12 ' CD1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -101.15 -179.75 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.581 0.813 . . . . 0.0 109.359 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -74.86 167.74 21.28 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.54 -69.96 0.5 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -41.47 -47.12 3.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.517 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 1.6 m -53.53 -53.72 47.54 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.115 . . . . 0.0 110.451 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -66.61 -22.34 66.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.68 -27.2 68.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.48 -38.24 14.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.8 mt -74.15 -22.06 59.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.352 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 53' ' ' ALA . 23.2 m -74.22 137.8 43.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -114.96 99.51 7.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.644 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.426 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 4.8 mtpm? -101.41 52.57 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -108.23 -154.09 17.39 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.475 HD12 ' CE1' ' A' ' 63' ' ' PHE . 0.5 OUTLIER -140.2 111.14 6.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.19 99.9 10.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.55 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 3.7 m-85 -132.88 41.87 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.03 116.8 8.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.99 87.45 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.86 44.08 0.16 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.92 143.33 48.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 0.726 . . . . 0.0 110.365 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.3 p -144.07 133.86 23.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.025 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -76.72 -179.81 5.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 p -142.51 141.31 32.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.366 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.3 t -128.25 142.96 51.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.033 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 29.1 m -94.01 96.35 9.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.354 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.598 ' CD2' HD13 ' A' ' 23' ' ' ILE . 3.8 m-30 -82.42 56.8 3.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.6 m -85.23 -64.13 1.21 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.89 126.85 88.12 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 115.62 4.34 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -170.09 -147.11 5.39 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.3 m -144.02 112.13 6.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 0.785 . . . . 0.0 110.397 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.614 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 96.1 m-85 -104.63 142.91 33.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.4 m -118.87 110.08 16.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.083 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.573 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 52.0 p90 -105.29 134.77 47.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.498 ' OH ' ' CB ' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -145.9 -179.29 6.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 0.0 110.985 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 1.041 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 8.4 m -85.31 147.09 26.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 108.328 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.517 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 2.1 mt-10 -70.1 -50.81 15.4 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.97 -45.46 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.786 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.422 ' CE1' ' HE2' ' A' ' 39' ' ' HIS . 26.5 m170 -92.02 38.38 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 109.636 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 87' ' ' ARG . 5.3 ttp-105 -65.39 -59.39 4.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 110.329 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.23 69.42 0.3 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.27 -47.35 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 0.81 . . . . 0.0 109.292 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 147.07 44.71 0.03 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.577 1.173 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 1.041 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.7 OUTLIER -145.17 98.88 3.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.405 0.709 . . . . 0.0 110.995 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.7 t -146.54 169.56 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.501 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -142.72 156.46 26.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.23 143.4 50.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 0.794 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.552 HG13 ' CE2' ' A' ' 73' ' ' PHE . 40.8 t -122.79 146.91 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.6 t -138.99 102.65 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.379 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.542 HG21 ' CD2' ' A' ' 73' ' ' PHE . 32.8 t -99.16 140.49 18.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 t0 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -81.91 173.57 12.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 109.233 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.37 156.89 23.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.0 m -141.65 137.96 32.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.356 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.8 t -144.35 109.11 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.212 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -74.63 142.41 44.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.88 89.47 5.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 9' ' ' SER . . . 93.13 127.41 4.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 8' ' ' GLY . 0.8 OUTLIER -43.06 166.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 110.01 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.418 ' O ' ' HB3' ' A' ' 11' ' ' SER . 10.9 p30 -73.17 67.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.418 ' HB3' ' O ' ' A' ' 10' ' ' ASP . 35.7 t 66.85 99.62 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.989 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.13 -65.59 0.2 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.31 133.64 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.447 ' CA ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -75.42 99.79 4.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.0 m -145.26 133.23 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.137 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.507 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 82.8 m-85 -79.15 116.0 19.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.452 1.095 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.452 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -141.24 126.23 10.76 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 110.318 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.0 130.19 20.64 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.039 -2.484 . . . . 0.0 111.0 0.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.446 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 84.7 p -37.86 -39.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.08 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 t -151.36 157.93 43.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.427 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.407 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -139.77 168.34 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.361 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.7 m -133.78 103.17 5.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.423 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.567 HD11 ' CD2' ' A' ' 73' ' ' PHE . 6.8 pt -109.96 -179.83 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -75.05 178.04 5.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.43 93.71 6.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.361 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.0 -19.11 2.15 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.405 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 2.3 tt0 -76.15 -179.85 5.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 0.733 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -124.97 -179.5 4.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.639 ' CG2' ' CE2' ' A' ' 73' ' ' PHE . 38.4 t -131.86 162.56 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.583 1.177 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.445 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 1.5 tttp -137.8 131.46 31.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.338 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.571 ' CD1' HD11 ' A' ' 41' ' ' ILE . 10.5 m-90 -105.54 156.52 18.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 108.008 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.5 t -140.0 129.66 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.418 ' ND2' ' HB2' ' A' ' 62' ' ' ALA . 6.9 m-20 -95.14 150.83 19.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.584 1.177 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -131.88 -77.01 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.11 176.54 9.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.447 HD12 ' CA ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER 80.0 45.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.548 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -91.89 163.94 25.7 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.969 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.548 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.01 164.39 88.51 Favored 'Cis proline' 0 C--N 1.359 1.104 0 C-N-CA 121.049 -2.48 . . . . 0.0 110.962 0.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -139.23 137.55 36.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -124.53 172.64 9.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.571 HD11 ' CD1' ' A' ' 31' ' ' TRP . 9.8 mt -139.66 99.27 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.41 126.85 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 2.4 m-85 -95.1 103.18 15.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.565 ' HB1' ' CE2' ' A' ' 82' ' ' TYR . . . -79.46 101.45 8.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.78 97.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.2 m-20 -124.39 85.28 2.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.99 -34.18 5.59 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.57 1.169 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.576 HG11 ' CD1' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -89.49 -178.86 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.792 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.06 169.18 18.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.62 -59.78 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.37 -54.77 27.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.507 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 16.4 m -46.37 -61.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.438 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.48 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -56.3 -34.2 66.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.41 -21.91 52.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.13 -30.03 16.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.241 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.605 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 5.7 mp -92.09 -1.43 57.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.545 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -83.83 119.76 25.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 110.006 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 3.5 m-70 -94.5 170.28 9.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.59 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.21 52.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.484 ' HA3' ' CZ ' ' A' ' 69' ' ' PHE . . . -107.13 138.7 14.62 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -86.69 128.83 35.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 0.792 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.418 ' HB2' ' ND2' ' A' ' 33' ' ' ASN . . . -89.87 120.21 30.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.513 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 8.7 m-85 -146.86 -45.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.601 1.188 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.55 116.14 27.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.44 92.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.165 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.17 44.98 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.024 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.16 100.98 7.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 110.241 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 10.2 p -108.82 125.54 52.08 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 32.4 m-85 -92.9 173.1 7.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 29' ' ' VAL . 11.2 m -145.96 149.89 35.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.5 t -138.34 144.57 40.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.929 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.8 m -93.51 107.26 19.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.639 ' CE2' ' CG2' ' A' ' 29' ' ' VAL . 5.9 m-30 -91.61 50.85 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.6 m -70.68 -64.47 0.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.404 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -62.1 122.86 75.24 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 123.09 7.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 177.64 -138.69 3.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.433 1.083 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.0 t -145.18 130.38 18.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 110.371 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.576 ' CD1' HG11 ' A' ' 48' ' ' VAL . 93.2 m-85 -126.84 113.37 16.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 61.3 p -95.14 118.69 32.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -119.49 142.28 48.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.565 ' CE2' ' HB1' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -141.19 179.91 6.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.62 146.77 32.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 108.362 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.499 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -73.28 -51.86 5.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.266 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -74.89 -49.48 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.538 1.809 . . . . 0.0 111.057 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -91.12 46.58 1.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.633 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.405 ' NH1' ' HB3' ' A' ' 87' ' ' ARG . 16.0 ttp-105 -67.97 -55.46 12.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.91 60.67 0.34 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.58 1.175 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.14 -46.08 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 144.83 43.76 0.04 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.507 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -145.44 100.18 3.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.623 0.837 . . . . 0.0 111.047 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.425 ' CG1' ' N ' ' A' ' 93' ' ' GLY . 97.2 t -142.92 165.98 15.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.425 ' N ' ' CG1' ' A' ' 92' ' ' VAL . . . -136.43 174.48 21.5 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -144.99 148.52 33.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 109.327 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.576 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 40.5 t -127.19 144.35 37.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.3 t -138.39 120.36 17.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.435 1.084 . . . . 0.0 109.263 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.8 t -121.76 139.61 48.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.251 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -142.67 179.17 7.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.476 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . . . -75.28 131.15 40.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.413 1.071 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.9 m -90.52 125.4 35.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.404 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.5 100.43 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.368 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -87.45 135.22 33.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -75.37 -121.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 9' ' ' SER . . . -43.83 122.82 4.33 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.417 1.073 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 8' ' ' GLY . 83.6 p -43.13 165.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.967 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -74.59 68.71 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.22 95.04 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.068 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.51 -71.2 0.14 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.82 132.41 20.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.772 . . . . 0.0 109.268 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.04 99.99 4.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.4 m -145.15 141.97 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.571 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 71.5 m-85 -80.01 124.98 29.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.568 1.167 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.487 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -137.99 131.82 16.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 110.276 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.6 Cg_endo -74.94 132.61 28.12 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 121.001 -2.499 . . . . 0.0 111.034 -0.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.441 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 38.0 p -42.64 -37.02 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.5 m -133.39 117.73 17.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.374 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.478 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -114.64 144.77 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.3 m -133.4 103.71 6.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.383 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.476 ' CG2' ' HB3' ' A' ' 3' ' ' ALA . 1.1 pt -111.55 176.83 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.92 173.63 10.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.93 131.07 38.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.94 -11.97 57.52 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.37 178.19 7.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 0.799 . . . . 0.0 110.346 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 28' ' ' GLU . 8.7 mp0 -121.4 179.8 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.563 HG11 ' CZ3' ' A' ' 31' ' ' TRP . 2.4 t -139.09 160.11 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 2.1 ttmt -129.71 152.12 49.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.563 ' CZ3' HG11 ' A' ' 29' ' ' VAL . 11.1 m-90 -123.11 154.69 38.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 108.038 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.8 t -138.54 114.87 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -87.03 135.74 33.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -111.09 -87.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.244 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -131.43 179.47 6.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 109.238 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.59 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.8 OUTLIER 76.2 54.07 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.491 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -94.78 161.17 29.53 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 110.007 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.491 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.96 156.81 99.89 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.97 -2.513 . . . . 0.0 111.066 -0.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -136.81 99.65 4.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.669 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -94.96 175.94 6.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.494 HD12 ' CD1' ' A' ' 31' ' ' TRP . 3.0 mt -134.6 98.49 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.246 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -108.37 127.1 64.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 0.0 109.291 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 2.2 m-85 -98.04 113.02 24.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.507 ' HB1' ' CZ ' ' A' ' 82' ' ' TYR . . . -92.38 109.44 20.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.2 96.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 44' ' ' ALA . 27.4 t70 -122.49 80.44 1.73 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.83 -33.68 5.63 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.499 HG11 ' CD2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -91.37 179.41 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.265 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.29 138.03 39.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.411 1.069 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' ASP . . . -51.91 -67.77 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -40.33 -53.69 2.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.511 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 2.0 m -49.81 -68.35 0.18 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.49 1.119 . . . . 0.0 110.37 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.91 -23.33 4.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 51' ' ' ASP . . . -63.21 -37.72 88.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.13 -33.17 56.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.6 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 6.8 mp -85.2 -1.21 56.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.385 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.574 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -84.32 117.02 23.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.984 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.505 ' O ' ' CG ' ' A' ' 59' ' ' LYS . 1.1 m-70 -94.55 166.39 12.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.565 1.166 . . . . 0.0 109.632 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -173.04 63.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -118.3 129.69 8.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.58 HD11 ' CD1' ' A' ' 63' ' ' PHE . 1.8 tm? -58.61 134.51 56.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -110.97 99.2 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.58 ' CD1' HD11 ' A' ' 61' ' ' LEU . 1.4 m-85 -145.58 28.6 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 0.0 111.099 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 66' ' ' GLY . . . -142.46 119.79 11.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.38 77.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 153.29 44.35 0.02 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.71 135.61 50.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 0.772 . . . . 0.0 110.272 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.4 m -143.72 122.76 12.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.987 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.421 ' HB3' ' NE2' ' A' ' 58' ' ' HIS . 14.2 m-85 -98.3 174.26 6.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 111.022 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.442 ' O ' ' NE2' ' A' ' 58' ' ' HIS . 12.6 m -143.57 151.15 39.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.366 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.7 t -138.23 158.89 43.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.6 m -105.19 111.78 24.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.565 ' CZ ' HG13 ' A' ' 95' ' ' VAL . 3.8 m-30 -102.65 62.12 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 p -82.07 -62.57 1.59 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.419 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.1 126.42 92.74 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.355 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.94 111.25 3.28 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.449 1.763 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -165.36 -145.71 4.52 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.7 m -143.22 113.95 7.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 110.373 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.511 ' OH ' ' CG2' ' A' ' 52' ' ' THR . 80.8 m-85 -104.1 108.23 19.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 21.7 m -85.64 103.4 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.419 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.43 ' CE2' ' CD1' ' A' ' 16' ' ' PHE . 27.0 p90 -112.74 149.47 32.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 111.05 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.507 ' CZ ' ' HB1' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -144.19 -179.67 6.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.964 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.516 ' SG ' ' CZ ' ' A' ' 16' ' ' PHE . 3.7 m -79.48 142.93 35.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 108.312 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.528 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -76.13 -50.12 3.06 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.566 1.166 . . . . 0.0 110.295 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -75.0 0.25 9.14 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.507 ' CE1' ' HG2' ' A' ' 85' ' ' PRO . 0.8 OUTLIER -143.23 49.23 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.624 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.3 ptt85 -95.33 52.99 1.45 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.082 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 161.85 51.62 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.483 1.115 . . . . 0.0 111.051 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.89 -46.8 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.761 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 142.33 45.12 0.05 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.12 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.571 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 6.2 ttt -140.9 99.41 3.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 30.2 t -145.81 159.25 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 0.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -116.89 178.2 17.07 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.502 1.126 . . . . 0.0 110.934 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -145.35 99.14 3.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.254 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.565 HG13 ' CZ ' ' A' ' 73' ' ' PHE . 5.0 t -79.03 147.9 6.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.4 t -144.04 123.29 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.4 HG21 ' CD2' ' A' ' 73' ' ' PHE . 41.6 t -120.82 137.19 55.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.77 170.19 13.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.448 ' HB1' ' CG2' ' A' ' 23' ' ' ILE . . . -75.21 124.7 27.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 92.0 m -97.23 118.41 33.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.413 HG12 ' CD1' ' A' ' 31' ' ' TRP . 42.6 t -136.93 159.4 36.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.357 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -138.55 162.62 34.1 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.448 ' SD ' ' CB ' ' A' ' 39' ' ' HIS . 9.4 ptp -91.39 -29.07 17.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -133.71 -179.28 16.23 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 m -107.26 144.08 34.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.767 . . . . 0.0 109.976 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -76.31 57.54 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.588 1.18 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.04 -75.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.99 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.06 44.0 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.11 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.92 123.83 12.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.435 ' CD1' ' SD ' ' A' ' 91' ' ' MET . 1.4 pp -79.76 99.52 7.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.398 1.061 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.7 m -145.29 167.03 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.532 ' CE2' ' HE2' ' A' ' 91' ' ' MET . 33.0 m-85 -107.73 114.11 27.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HA ' ' N ' ' A' ' 19' ' ' SER . 11.0 tt0 -145.37 129.57 8.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.363 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -75.06 129.1 17.77 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.005 0.068 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.485 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 60.4 p -55.52 -39.14 70.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.016 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.1 m -123.05 133.48 54.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.409 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.474 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 3.1 m -135.69 153.7 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.4 m -133.87 102.06 5.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.442 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.455 HD13 ' CB ' ' A' ' 73' ' ' PHE . 1.1 pt -111.19 -179.62 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -81.01 178.46 8.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.04 88.99 4.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 146.52 -16.8 1.65 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.98 -179.76 4.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.753 . . . . 0.0 110.331 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -124.88 171.9 9.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.226 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.535 HG21 ' CE2' ' A' ' 73' ' ' PHE . 4.4 t -130.09 149.37 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.408 ' N ' HG12 ' A' ' 29' ' ' VAL . 18.4 ttmt -123.42 139.88 53.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.413 ' CD1' HG12 ' A' ' 5' ' ' VAL . 2.9 m-90 -119.4 119.66 34.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 0.0 107.988 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.0 t -87.94 141.94 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -77.44 136.34 38.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -134.6 -179.0 5.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 177.89 6.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.419 HD11 ' CA ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER 78.67 47.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.944 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.511 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -89.31 162.66 36.48 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.511 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.92 164.56 88.07 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.049 -0.111 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.448 ' CB ' ' SD ' ' A' ' 7' ' ' MET . 0.6 OUTLIER -139.84 99.93 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.179 . . . . 0.0 109.522 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -88.45 178.41 6.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.565 HD13 ' CE1' ' A' ' 58' ' ' HIS . 95.3 mt -144.01 101.03 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.471 HG13 ' CG ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -114.5 120.91 65.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 109.324 179.947 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -94.59 100.73 12.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.542 1.151 . . . . 0.0 110.986 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.581 ' HB2' ' CE2' ' A' ' 82' ' ' TYR . . . -76.21 106.29 7.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.1 95.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.8 OUTLIER -111.22 76.19 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.27 -25.45 12.49 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.579 HG11 ' CD1' ' A' ' 79' ' ' TYR . 1.3 p -94.49 175.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 0.776 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.74 131.69 41.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.58 -46.3 70.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.18 . . . . 0.0 109.378 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 1.0 OUTLIER -49.68 -54.98 15.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.26 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.501 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 27.2 m -55.46 -66.47 0.41 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.443 1.089 . . . . 0.0 110.393 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -42.9 -28.6 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 51' ' ' ASP . . . -61.96 -70.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.14 -29.88 58.65 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.584 HD11 ' CD1' ' A' ' 79' ' ' TYR . 6.3 mt -73.45 -32.05 64.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 53' ' ' ALA . 97.4 p -76.81 144.83 38.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.565 ' CE1' HD13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -137.03 99.42 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.591 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.471 ' CG ' HG13 ' A' ' 42' ' ' VAL . 16.8 mttt -85.3 56.09 3.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -88.53 151.07 22.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -86.27 135.85 33.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 109.389 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -109.78 112.48 24.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -140.15 -46.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.1 117.65 25.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.63 109.86 6.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.8 -20.53 2.17 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.552 1.157 . . . . 0.0 111.047 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -83.52 115.38 22.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 0.804 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.9 m -108.39 155.51 20.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 110.051 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -107.58 170.03 8.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.045 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.8 m -142.91 152.6 42.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.443 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.467 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 35.5 p -143.19 161.48 38.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.4 m -115.72 110.47 19.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.44 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.57 ' CE2' HG12 ' A' ' 95' ' ' VAL . 5.6 m-30 -93.83 49.75 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 m -70.59 -55.9 7.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 110.465 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.56 123.15 88.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.265 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 128.17 11.28 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.547 1.814 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -177.1 -150.86 8.62 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.499 1.124 . . . . 0.0 111.079 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 m -137.92 92.48 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 0.743 . . . . 0.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.586 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 88.3 m-85 -90.85 135.42 33.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 45.7 m -118.52 109.66 16.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.574 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 38.4 p90 -108.82 137.97 45.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.581 ' CE2' ' HB2' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -145.01 -179.67 6.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -79.31 136.67 37.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.081 . . . . 0.0 108.34 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.483 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -65.1 -52.6 47.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -74.89 -42.23 0.57 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.491 1.785 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -100.46 49.02 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.626 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -46.09 85.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.28 50.53 0.78 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.88 53.18 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 43.33 42.92 5.78 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.532 ' HE2' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -138.87 98.52 3.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 0.774 . . . . 0.0 111.048 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 93' ' ' GLY . 92.9 t -146.54 168.22 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.523 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -141.87 124.03 2.37 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.395 1.059 . . . . 0.0 111.107 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.19 119.82 40.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.57 HG12 ' CE2' ' A' ' 73' ' ' PHE . 3.3 t -107.7 138.86 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.414 1.071 . . . . 0.0 109.386 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.2 t -131.14 112.16 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 45.8 t -103.72 138.79 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.276 -179.998 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -145.36 -179.77 6.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.42 ' HB3' ' CG2' ' A' ' 29' ' ' VAL . . . -132.94 145.02 50.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 83.3 m -145.13 129.56 17.86 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.473 ' CG2' HG13 ' A' ' 21' ' ' VAL . 71.2 t -129.98 124.39 58.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.33 145.94 35.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.75 -58.83 4.56 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.43 1.081 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -130.14 -102.86 1.0 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.445 ' C ' ' ND2' ' A' ' 34' ' ' ASN . 89.4 p -152.52 156.74 39.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 110.021 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -86.35 69.45 10.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.0 t -162.27 -77.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.929 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.24 39.11 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.69 140.19 36.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.77 . . . . 0.0 109.269 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.423 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 1.6 pp -96.04 100.2 11.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.7 m -144.88 132.02 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.555 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 45.6 m-85 -77.67 112.98 15.05 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.45 1.094 . . . . 0.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -142.89 133.2 12.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.962 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -74.99 132.58 28.03 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.96 0.001 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.437 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 80.0 p -48.62 -36.79 16.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.967 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.4 m -128.51 135.4 49.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.399 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.473 HG13 ' CG2' ' A' ' 5' ' ' VAL . 0.9 OUTLIER -138.25 161.53 31.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.9 m -128.42 106.82 9.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.349 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.489 ' CD1' ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -110.49 145.32 17.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.337 179.931 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.489 ' O ' ' CD1' ' A' ' 23' ' ' ILE . 3.4 mtpp -73.59 169.49 17.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.83 141.63 40.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.48 -9.09 59.67 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.544 1.152 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -80.99 169.39 17.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 110.303 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.452 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 21.8 pm0 -119.62 164.96 15.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.42 ' CG2' ' HB3' ' A' ' 3' ' ' ALA . 45.9 t -132.91 131.19 59.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.153 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -105.53 145.1 31.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.279 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.441 ' O ' ' CB ' ' A' ' 68' ' ' SER . 3.8 m-90 -122.4 116.45 24.03 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.8 t -84.96 148.26 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.363 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -74.9 158.06 34.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.445 ' ND2' ' C ' ' A' ' 9' ' ' SER . 4.2 m120 -150.46 -174.27 4.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -179.2 4.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.423 ' HG ' ' CD2' ' A' ' 14' ' ' LEU . 3.2 mm? 66.35 28.71 9.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.374 -179.906 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.501 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -75.12 161.82 75.71 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.53 1.144 . . . . 0.0 109.97 -179.911 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.501 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.01 162.71 92.31 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.04 -2.483 . . . . 0.0 110.961 -0.006 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -130.58 101.23 5.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.564 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 59' ' ' LYS . 3.2 m120 -78.96 168.54 19.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.372 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.8 mt -142.42 99.38 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.17 127.32 72.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.596 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -100.95 98.92 9.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.988 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -74.03 119.07 17.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.57 95.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.405 1.065 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -121.98 87.17 2.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.14 -24.46 32.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.577 1.173 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -102.25 -179.94 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 109.234 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -74.79 169.59 17.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.405 1.066 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -78.04 -65.46 0.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.211 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -49.32 -36.18 20.39 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.496 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 15.7 m -64.62 -38.26 90.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.357 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.91 -8.09 52.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -69.64 -46.3 66.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.415 1.072 . . . . 0.0 109.375 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.33 -51.01 7.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.582 ' HG ' ' CE2' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -49.45 -24.56 2.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.0 p -81.83 154.89 25.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -121.19 178.19 4.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.555 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.445 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -151.74 -49.41 0.11 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 179.91 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -40.08 139.49 1.11 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.49 1.119 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.9 128.01 55.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 0.805 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.436 ' C ' ' CD1' ' A' ' 63' ' ' PHE . . . -95.36 157.31 15.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.393 1.058 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.436 ' CD1' ' C ' ' A' ' 62' ' ' ALA . 2.3 m-85 -136.59 -43.61 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.53 142.09 44.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.243 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.12 61.46 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.59 1.181 . . . . 0.0 109.259 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -178.06 35.38 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -135.97 100.17 4.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.595 0.82 . . . . 0.0 110.298 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 24.0 p -113.36 147.98 36.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.96 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -93.18 176.14 6.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 m -144.62 143.1 30.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 110.366 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.9 p -143.73 154.66 43.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 110.021 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.512 ' O ' ' CD2' ' A' ' 56' ' ' LEU . 2.3 m -132.0 126.05 33.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 110.419 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.764 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 2.8 m-85 -98.12 67.86 1.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 -179.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 m -50.11 -36.81 31.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.366 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -109.05 135.08 20.21 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 121.68 6.7 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -159.6 -142.51 3.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.429 ' CG2' ' O ' ' A' ' 78' ' ' THR . 8.7 t -145.15 94.85 2.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 110.442 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.764 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 58.0 m-85 -87.66 132.23 34.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 111.019 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.4 m -119.87 114.58 22.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.429 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.576 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 27.3 p90 -117.42 145.5 44.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.036 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.438 ' OH ' ' CB ' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -144.95 -179.76 6.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.78 119.66 22.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 108.214 -179.889 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.507 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -49.2 -51.09 59.86 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -75.01 -49.17 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.801 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -90.96 46.17 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.58 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -62.94 -59.06 5.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.57 64.5 0.27 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.0 -49.64 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.615 0.832 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 153.21 43.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.555 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -145.67 99.2 3.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 110.991 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' A' ' 93' ' ' GLY . 57.9 t -143.62 167.98 12.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.407 ' N ' ' CG1' ' A' ' 92' ' ' VAL . . . -149.8 164.32 29.51 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.473 1.108 . . . . 0.0 111.069 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -142.79 149.08 38.19 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.582 0.813 . . . . 0.0 109.295 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.529 HG12 ' CZ ' ' A' ' 73' ' ' PHE . 59.2 t -135.14 126.5 46.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.7 t -109.72 130.14 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.075 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.588 ' CG2' ' CD2' ' A' ' 73' ' ' PHE . 98.1 t -127.26 147.02 32.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.375 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 -179.969 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.423 ' N ' ' HD2' ' A' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -84.81 134.82 34.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.418 ' HB1' ' CG2' ' A' ' 23' ' ' ILE . . . -118.28 152.58 35.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.2 m -135.72 142.43 45.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.59 1.181 . . . . 0.0 110.384 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.482 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 22.1 t -144.67 136.35 21.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 7' ' ' MET . 10.3 mttt -123.54 104.25 8.93 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.443 1.089 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.42 ' O ' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -45.78 174.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 37.38 -136.47 0.73 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.65 154.88 21.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.752 . . . . 0.0 109.986 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.1 67.41 6.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 t -165.06 -69.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.97 40.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.3 129.25 17.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.782 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.405 HD13 ' CG ' ' A' ' 86' ' ' HIS . 1.6 pp -90.91 99.11 12.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.6 m -144.05 160.58 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.564 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 22.4 m-85 -95.85 119.1 33.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.438 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 9.7 tm-20 -145.36 126.81 7.67 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.472 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.2 Cg_endo -74.96 132.71 28.46 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.043 -2.482 . . . . 0.0 111.021 -0.073 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.409 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 98.2 p -56.85 -28.95 62.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.4 m -128.39 124.66 36.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.383 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.472 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -141.81 137.65 31.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.6 t -139.86 139.45 36.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 0.0 110.423 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 27' ' ' GLU . 4.1 pt -134.04 -177.39 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.223 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 1' ' ' ALA . 14.6 mttm -73.24 -179.87 3.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 98' ' ' ASP . . . -100.08 106.85 18.63 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.04 -10.35 7.0 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.577 1.173 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -86.11 -179.41 6.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 0.731 . . . . 0.0 110.335 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -123.91 179.27 4.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.248 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -144.72 148.18 18.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -121.76 153.66 37.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.574 ' CD1' HD11 ' A' ' 41' ' ' ILE . 1.9 m-90 -123.92 164.62 18.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 108.034 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.415 ' O ' ' SD ' ' A' ' 7' ' ' MET . 92.7 t -135.84 134.81 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.377 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -74.24 130.57 39.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -119.33 -170.31 1.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.456 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -78.75 177.1 8.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.604 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.2 OUTLIER 72.6 66.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.516 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -98.04 162.78 21.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 0.0 110.03 179.946 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.59 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.2 Cg_endo -74.94 161.25 95.19 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 121.044 -2.482 . . . . 0.0 111.025 -0.053 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -141.09 107.16 5.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.635 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.47 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 11.5 p-10 -112.47 162.84 15.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 0.0 109.354 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.574 HD11 ' CD1' ' A' ' 31' ' ' TRP . 63.3 mt -125.04 98.54 5.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.504 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -109.87 122.96 65.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.591 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -97.12 101.1 12.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 110.975 -179.952 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 82' ' ' TYR . . . -77.39 108.68 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.16 96.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.342 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 44' ' ' ALA . 54.6 t0 -119.31 74.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.58 -32.15 6.21 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.9 p -89.64 179.53 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.547 0.793 . . . . 0.0 109.261 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.65 158.46 33.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -70.86 -70.08 0.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.105 . . . . 0.0 109.25 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.84 -34.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.492 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 9.2 m -69.0 -51.65 37.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -73.29 -9.62 58.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -74.18 -44.06 54.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.58 -53.98 5.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.474 HD23 ' CD2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -48.14 -30.03 4.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.8 p -74.86 156.92 35.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.069 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.492 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 73.1 m-70 -128.44 107.54 9.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.62 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.504 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -111.44 39.5 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -97.28 -29.72 7.77 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.436 1.085 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 3.3 mm? 67.92 114.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -100.49 129.33 46.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 12.0 m-30 -123.22 -38.76 2.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.5 138.5 41.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.54 89.55 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.94 48.77 0.04 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.437 1.086 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.39 101.13 6.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 m -97.43 153.08 18.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.923 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.492 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 21.5 m-30 -126.06 167.65 15.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.5 m -135.21 151.12 50.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.0 p -142.14 147.03 36.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.03 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 48.8 m -98.91 120.34 39.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.402 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.641 ' CD2' ' CG2' ' A' ' 97' ' ' VAL . 3.5 m-30 -107.52 57.98 0.62 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 p -79.2 -66.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.443 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.22 127.73 93.25 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.36 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 107.79 2.56 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.493 1.786 . . . . 0.0 111.035 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.69 -148.13 4.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.8 m -143.59 104.47 4.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 0.808 . . . . 0.0 110.358 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.591 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 44.9 m-85 -94.29 133.41 37.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 111.057 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 36.9 m -115.09 116.73 28.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.394 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.578 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 27.7 p90 -118.2 137.2 53.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.587 1.18 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.499 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -142.21 179.62 6.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 111.04 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 87' ' ' ARG . 0.8 OUTLIER -92.14 126.02 37.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 108.333 179.945 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.473 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 1.6 mt-10 -38.81 -52.95 3.58 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.02 -55.66 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.405 ' CG ' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -87.09 49.69 1.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.667 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.422 ' HG3' ' CD1' ' A' ' 82' ' ' TYR . 3.4 ttt180 -80.54 -53.58 6.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.86 33.78 5.44 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.447 1.092 . . . . 0.0 110.948 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -98.27 -28.23 13.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.583 0.813 . . . . 0.0 109.348 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 140.36 -25.07 2.63 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.564 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -83.99 99.39 10.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 0.778 . . . . 0.0 111.02 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.427 ' CG1' ' N ' ' A' ' 93' ' ' GLY . 87.1 t -145.74 168.39 7.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.427 ' N ' ' CG1' ' A' ' 92' ' ' VAL . . . -136.99 162.59 25.28 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.42 130.6 42.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 0.783 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.578 HG12 ' CZ ' ' A' ' 73' ' ' PHE . 69.0 t -115.31 142.17 29.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.403 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.431 ' N ' HG13 ' A' ' 95' ' ' VAL . 7.5 t -134.87 142.14 41.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.641 ' CG2' ' CD2' ' A' ' 73' ' ' PHE . 77.3 t -128.6 141.71 45.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 25' ' ' ALA . 5.1 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.497 ' O ' ' CG2' ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -75.37 119.28 19.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 0.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.32 165.64 11.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.303 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.8 m -145.23 135.76 24.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 110.406 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.476 ' CG2' HG13 ' A' ' 21' ' ' VAL . 86.7 t -136.23 146.09 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.421 ' N ' HG12 ' A' ' 5' ' ' VAL . 2.1 ptpt -102.94 156.07 17.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' VAL . 4.6 mtm -103.94 60.36 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.65 -137.68 7.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.5 p -151.97 137.19 17.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 110.011 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -76.86 65.25 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.96 -70.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.82 42.98 0.03 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.32 169.37 17.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.48 HD13 ' CD2' ' A' ' 86' ' ' HIS . 1.9 pp -122.23 99.65 6.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 m -145.5 146.97 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.152 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -94.1 111.08 22.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.491 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -141.13 134.87 14.8 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.343 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.98 133.05 29.65 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.05 -0.027 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.439 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 89.3 p -58.07 -36.89 73.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.0 m -117.92 125.04 49.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.476 HG13 ' CG2' ' A' ' 5' ' ' VAL . 1.4 m -138.09 131.05 40.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.6 t -129.25 126.7 39.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.433 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.497 ' CG2' ' O ' ' A' ' 1' ' ' ALA . 1.2 pt -128.79 -178.27 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -73.97 176.73 6.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.237 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.72 125.93 39.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 106.41 -18.06 39.14 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -78.58 171.71 14.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 110.275 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.2 pm0 -117.3 175.59 5.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 110.267 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.574 HG13 ' CZ3' ' A' ' 31' ' ' TRP . 24.1 t -139.1 145.14 27.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 109.239 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.404 ' N ' HG11 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -108.66 152.72 24.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.574 ' CZ3' HG13 ' A' ' 29' ' ' VAL . 5.8 m-90 -124.11 165.22 17.9 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 7' ' ' MET . 55.9 t -141.78 133.49 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -74.92 164.22 26.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -154.61 -168.34 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -82.72 -178.62 7.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.227 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.605 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 2.8 mm? 69.13 64.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.557 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -92.5 164.82 21.14 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.027 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.61 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.5 Cg_endo -74.98 162.37 92.98 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.072 -2.47 . . . . 0.0 111.031 0.017 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 1.5 m-70 -145.81 104.58 3.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.559 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -116.81 179.43 4.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.575 HD13 ' CE1' ' A' ' 58' ' ' HIS . 5.3 mt -129.5 102.12 7.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.425 ' CG1' ' HG2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -117.11 119.34 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.65 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -97.48 98.77 10.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 0.0 111.033 179.957 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.497 ' CB ' ' OH ' ' A' ' 82' ' ' TYR . . . -75.93 116.06 16.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.74 95.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.343 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.4 m-20 -120.9 73.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.67 -19.52 23.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.433 1.083 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -107.14 176.18 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.559 0.799 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.29 148.96 38.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.86 -38.88 87.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.36 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.35 -58.53 6.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.1 t -56.5 -21.77 28.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.81 -24.37 19.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.9 -47.1 86.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -44.69 34.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.577 ' HG ' ' CE2' ' A' ' 79' ' ' TYR . 1.6 mm? -58.24 -26.45 62.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.3 p -84.38 130.51 34.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.069 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.575 ' CE1' HD13 ' A' ' 41' ' ' ILE . 6.8 p80 -133.66 100.36 4.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 109.591 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 60' ' ' GLY . 0.4 OUTLIER -71.65 -68.35 0.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.474 ' HA3' ' CZ ' ' A' ' 69' ' ' PHE . . . 35.31 91.52 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.516 1.135 . . . . 0.0 111.05 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 4.4 mm? -64.09 92.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.756 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.446 ' O ' ' CD1' ' A' ' 63' ' ' PHE . . . -99.54 128.45 45.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.61 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 12.9 m-85 -138.08 40.0 2.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.77 162.79 29.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.45 74.69 6.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 156.08 44.57 0.02 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.79 130.43 55.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.8 m -140.34 130.09 24.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.038 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.474 ' CZ ' ' HA3' ' A' ' 60' ' ' GLY . 15.4 m-85 -107.98 174.76 5.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.8 m -139.17 156.3 47.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.404 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.6 t -141.47 152.36 44.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.947 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.507 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 2.3 m -102.14 104.0 14.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CD2' HG23 ' A' ' 29' ' ' VAL . 5.4 m-30 -94.0 60.78 2.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.2 p -81.43 -70.27 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.432 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.97 125.15 68.83 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 100.96 1.41 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.452 1.764 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -149.02 -146.51 4.34 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.6 m -145.72 91.96 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 110.384 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.65 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 72.8 m-85 -82.5 141.32 32.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 43.7 m -124.14 112.9 17.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.385 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.611 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 29.8 p90 -115.89 126.66 54.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.497 ' OH ' ' CB ' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -126.47 179.89 5.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.63 146.04 27.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 108.309 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.532 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 1.8 mt-10 -69.3 -49.46 23.4 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.98 -43.23 0.41 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.582 1.833 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.48 ' CD2' HD13 ' A' ' 14' ' ' LEU . 1.4 m80 -96.65 37.14 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.627 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.8 114.85 7.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 69.92 19.25 75.14 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -81.89 -29.45 32.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 0.732 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 151.1 -48.92 0.55 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.479 ' CE ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -76.01 103.04 5.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 111.015 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.46 ' CG2' ' N ' ' A' ' 93' ' ' GLY . 2.3 p -146.43 166.66 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.46 ' N ' ' CG2' ' A' ' 92' ' ' VAL . . . -131.21 157.08 22.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.553 1.158 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -137.9 107.98 6.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.59 0.818 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.527 HG11 ' CE2' ' A' ' 73' ' ' PHE . 25.3 t -80.56 153.92 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.7 t -143.57 100.51 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.172 . . . . 0.0 109.244 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.431 ' CG2' ' HB3' ' A' ' 73' ' ' PHE . 87.0 t -92.3 141.84 13.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.988 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 74.8 m-80 -144.99 175.19 10.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.528 ' CB ' HG22 ' A' ' 23' ' ' ILE . . . -102.76 100.29 10.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.375 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.7 m -91.34 158.17 16.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.483 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.9 t -143.48 120.99 6.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -96.48 135.53 38.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.319 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.415 ' O ' ' C ' ' A' ' 8' ' ' GLY . 39.1 mtm -101.96 177.75 4.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 111.112 179.917 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 7' ' ' MET . . . 36.77 92.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 8' ' ' GLY . 87.2 p -38.27 144.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 110.056 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -73.78 58.77 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 t -147.04 -61.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.991 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.88 42.85 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.24 141.75 28.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.61 98.47 11.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.7 m -147.39 142.21 19.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.225 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.607 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 96.6 m-85 -87.19 123.01 31.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HA ' ' N ' ' A' ' 19' ' ' SER . 2.7 tm-20 -145.25 128.4 8.37 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.508 1.13 . . . . 0.0 110.351 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.46 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.05 129.88 19.83 Favored 'Cis proline' 0 C--N 1.361 1.225 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.022 0.028 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.456 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 1.7 p -55.9 -39.66 71.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.993 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.9 m -117.8 130.02 56.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.396 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.46 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -144.04 136.02 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.1 m -114.29 102.57 10.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.606 ' CD1' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -107.8 170.57 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.227 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.53 173.99 10.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.33 145.51 25.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.2 -15.97 46.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.28 -179.83 4.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -118.72 171.01 8.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.153 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.58 HG12 ' CZ3' ' A' ' 31' ' ' TRP . 25.2 t -138.65 121.75 19.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.68 153.01 19.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.58 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 1.6 m-90 -128.19 116.71 20.32 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.8 t -90.03 124.54 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -78.82 150.29 32.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -144.73 -152.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -74.75 -179.28 4.07 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 68.06 46.35 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.507 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -92.49 161.96 30.99 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.464 1.103 . . . . 0.0 109.996 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.507 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.93 158.26 99.09 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.022 -0.08 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.542 ' CE1' ' HE3' ' A' ' 91' ' ' MET . 0.5 OUTLIER -129.92 100.02 5.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.605 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -88.37 177.43 6.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.577 HD12 ' CD1' ' A' ' 31' ' ' TRP . 5.7 mt -145.15 99.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.245 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.468 ' CG1' ' HG2' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -115.61 120.83 65.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.61 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -92.56 99.93 12.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 111.03 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.572 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . . . -75.74 114.17 14.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.78 95.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 44' ' ' ALA . 7.3 m-20 -118.67 81.23 1.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.66 -34.91 5.34 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -89.75 -179.83 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.94 147.95 40.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.67 -69.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 109.331 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -40.55 -38.16 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.491 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 3.1 m -62.53 -68.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.411 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -51.78 -22.25 3.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.06 -50.88 66.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -63.73 -35.95 82.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.4 mp -77.86 -19.65 54.44 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 53' ' ' ALA . 4.2 m -74.84 126.16 30.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.026 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.566 ' CE1' ' O ' ' A' ' 70' ' ' THR . 89.6 m-70 -107.88 101.38 10.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.468 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 9.7 mttt -97.24 31.29 2.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -84.12 -148.79 9.22 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.68 ' CD1' ' CD1' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -143.3 164.97 28.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 0.792 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -137.53 98.67 3.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.68 ' CD1' ' CD1' ' A' ' 61' ' ' LEU . 2.1 m-85 -132.08 33.32 3.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.092 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.9 139.9 27.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.43 88.13 6.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.82 -19.47 1.12 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.593 1.183 . . . . 0.0 111.033 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.44 156.27 35.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.771 . . . . 0.0 110.289 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 35.8 m -145.46 -179.64 6.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.419 1.074 . . . . 0.0 109.965 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.582 ' CD1' ' N ' ' A' ' 69' ' ' PHE . 0.2 OUTLIER -130.86 134.82 47.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.566 ' O ' ' CE1' ' A' ' 58' ' ' HIS . 2.3 m -112.29 145.67 39.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.447 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.6 p -132.1 159.86 37.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.075 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.5 m -110.7 114.59 28.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.606 ' CD2' ' CD1' ' A' ' 23' ' ' ILE . 6.1 m-30 -93.8 43.36 1.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 m -50.62 -67.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.373 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.19 128.18 63.42 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 147.84 34.3 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 171.38 -150.19 13.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.543 1.152 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 m -132.4 93.84 3.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 110.41 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.61 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 87.3 m-85 -91.23 137.03 32.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.2 m -114.84 115.39 26.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.386 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.581 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 33.1 p90 -114.69 139.45 49.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -144.51 179.82 7.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 111.023 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 1.22 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 12.7 m -78.75 131.68 36.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.328 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.552 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -61.82 -48.85 88.28 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.28 -179.968 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.97 -43.63 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.793 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -93.29 42.22 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.6 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -83.65 50.03 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 155.68 56.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.108 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.44 -49.81 0.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 0.766 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 149.83 43.91 0.03 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 1.22 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.2 OUTLIER -145.42 99.65 3.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.737 . . . . 0.0 110.958 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.418 ' CG1' ' N ' ' A' ' 93' ' ' GLY . 58.1 t -146.9 168.94 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.518 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -135.43 172.75 22.02 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.16 116.21 8.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 0.812 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.576 ' CG1' ' CZ ' ' A' ' 73' ' ' PHE . 77.4 t -104.03 138.83 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.401 ' N ' HG12 ' A' ' 95' ' ' VAL . 3.3 t -130.87 112.98 23.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.506 HG21 ' CD2' ' A' ' 73' ' ' PHE . 99.3 t -90.21 143.42 11.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.404 ' N ' HG13 ' A' ' 97' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -75.6 174.11 10.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.459 ' HB1' ' CG2' ' A' ' 23' ' ' ILE . . . -124.09 158.58 31.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.3 m -133.59 141.27 47.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.389 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.569 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 9.1 t -139.57 148.33 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 8' ' ' GLY . 12.4 mttt -128.33 121.98 30.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.42 61.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 111.044 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 6' ' ' LYS . . . 126.46 -164.35 20.06 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.14 162.71 20.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 0.767 . . . . 0.0 109.958 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -90.56 38.87 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.32 -74.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.08 . . . . 0.0 109.993 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.92 43.77 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.46 100.98 4.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.489 HD22 ' CE1' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -74.68 100.08 3.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 m -145.19 173.22 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.585 ' CE2' ' HE3' ' A' ' 91' ' ' MET . 1.9 m-85 -108.27 106.45 16.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.497 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -141.5 133.84 13.93 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.391 1.057 . . . . 0.0 110.298 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -75.06 134.4 35.74 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.958 -2.518 . . . . 0.0 110.995 0.043 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.416 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 1.7 t -61.72 -22.41 65.34 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.486 1.116 . . . . 0.0 110.069 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -140.19 118.98 12.45 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.427 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 1.1 m -118.15 149.72 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.9 m -136.1 126.72 27.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.459 ' CG2' ' HB1' ' A' ' 3' ' ' ALA . 1.1 pp -142.35 179.97 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.7 mmtt -77.92 177.68 8.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.55 91.76 5.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.58 1.175 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.06 -18.23 2.14 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.482 1.113 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.04 171.32 14.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 0.734 . . . . 0.0 110.226 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 29' ' ' VAL . 0.7 OUTLIER -118.82 142.16 47.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.327 179.975 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.412 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 80.5 t -109.1 144.3 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -115.63 152.96 32.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.377 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.576 ' CD1' HD12 ' A' ' 41' ' ' ILE . 7.1 m-90 -120.57 169.55 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.9 t -135.32 126.39 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.253 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -74.34 152.49 39.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -136.07 -156.02 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -103.3 -179.17 3.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.353 179.947 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.453 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 1.2 mp 76.57 40.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.6 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -68.18 165.91 29.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.947 -179.98 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.6 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.98 160.09 97.06 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.968 -0.036 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.571 ' CE1' ' CE1' ' A' ' 86' ' ' HIS . 13.0 m-70 -145.83 122.99 11.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.62 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.464 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 4.9 p-10 -136.84 161.35 36.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.576 HD12 ' CD1' ' A' ' 31' ' ' TRP . 3.6 mt -116.86 98.75 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.922 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -101.63 130.6 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 2.2 m-85 -97.45 101.94 13.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.498 ' HB1' ' CZ ' ' A' ' 82' ' ' TYR . . . -81.32 103.26 10.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' ALA . . . -39.72 97.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' ALA . 10.3 m-20 -125.45 77.02 1.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.4 -32.93 5.2 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.495 HG23 ' CZ ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -92.67 -178.74 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.261 -179.951 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.4 ' N ' ' CG1' ' A' ' 48' ' ' VAL . 0.9 OUTLIER -74.31 169.57 17.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.44 -70.54 0.44 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.2 -37.71 10.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.509 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 3.4 m -59.29 -60.46 3.83 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.494 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . . . -63.82 -20.63 65.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.45 -54.35 44.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -65.38 -37.1 85.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.604 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -77.96 -7.17 56.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.575 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -85.48 115.94 23.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.919 -179.914 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.732 ' CE1' ' CD1' ' A' ' 69' ' ' PHE . 4.3 m-70 -91.16 98.66 11.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.619 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -103.19 27.17 7.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.71 132.08 10.81 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 5.1 mp -82.01 134.17 35.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -131.59 111.85 12.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 7.5 m-85 -124.98 50.55 1.74 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 111.044 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.37 145.14 36.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.73 62.16 5.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.177 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.35 42.02 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.55 1.156 . . . . 0.0 111.037 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -115.85 128.53 55.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 0.0 110.335 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 75.0 m -130.93 129.78 42.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.075 . . . . 0.0 109.966 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.732 ' CD1' ' CE1' ' A' ' 58' ' ' HIS . 1.0 OUTLIER -97.73 167.94 10.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 111.032 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.429 ' O ' ' NE2' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -140.31 138.84 35.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 -179.969 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.424 ' HB3' ' CZ3' ' A' ' 31' ' ' TRP . 1.5 t -138.35 127.95 24.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.496 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 20.3 m -76.2 125.01 28.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.575 ' CZ ' HG12 ' A' ' 95' ' ' VAL . 3.9 m-30 -104.13 44.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 m -64.32 -65.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.388 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.91 123.9 88.21 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.581 1.176 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 134.85 18.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.446 1.761 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 168.74 -163.54 37.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.533 1.145 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 88.6 m -115.03 116.08 27.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 0.721 . . . . 0.0 110.412 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.509 ' OH ' ' CG2' ' A' ' 52' ' ' THR . 76.4 m-85 -107.51 96.55 6.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.4 m -80.81 111.88 17.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.367 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.535 ' CE1' HG23 ' A' ' 95' ' ' VAL . 31.6 p90 -118.53 136.59 53.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.498 ' CZ ' ' HB1' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -141.54 -179.55 6.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.627 1.205 . . . . 0.0 110.973 179.967 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.52 155.51 21.17 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.514 1.133 . . . . 0.0 108.249 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.472 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 2.3 mt-10 -79.29 -55.81 0.87 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.1 . . . . 0.0 110.284 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.472 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.99 -25.81 11.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.55 1.816 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.571 ' CE1' ' CE1' ' A' ' 39' ' ' HIS . 8.3 m80 -110.67 27.45 9.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.614 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.426 ' HG3' ' CD1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -67.24 70.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 86' ' ' HIS . . . 121.82 38.59 0.61 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.103 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -110.52 29.28 7.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 0.789 . . . . 0.0 109.376 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 89.39 -14.14 61.89 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.585 ' HE3' ' CE2' ' A' ' 16' ' ' PHE . 9.5 ptm -107.32 120.54 42.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.425 ' CG1' ' N ' ' A' ' 93' ' ' GLY . 84.3 t -146.81 167.86 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.363 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.52 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -131.14 146.83 18.18 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.515 1.134 . . . . 0.0 111.045 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -138.76 98.58 3.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.575 HG12 ' CZ ' ' A' ' 73' ' ' PHE . 2.3 t -79.25 154.57 4.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.23 -179.906 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.0 t -144.55 120.81 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.522 HG21 ' CD2' ' A' ' 73' ' ' PHE . 21.5 t -111.74 140.81 29.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.6 t0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.991 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -144.14 179.49 7.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.44 126.96 32.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.7 m -78.43 126.99 31.55 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.377 1.048 . . . . 0.0 110.457 179.925 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 88.3 t -143.91 101.84 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 143.34 34.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -71.37 -55.82 7.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.15 -133.21 7.9 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.469 1.106 . . . . 0.0 111.031 179.933 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -150.57 150.11 30.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.743 . . . . 0.0 109.982 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.84 66.15 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.906 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.09 -74.06 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.49 41.26 0.02 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.471 ' CA ' HD12 ' A' ' 36' ' ' LEU . . . -145.64 125.81 13.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.555 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -74.23 98.48 3.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.7 m -137.74 132.15 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.572 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 35.6 m-85 -80.88 116.08 20.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 1.09 . . . . 0.0 110.969 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 4.7 tt0 -145.15 131.1 9.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.464 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -75.02 131.82 25.51 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 121.043 -2.482 . . . . 0.0 111.015 0.025 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.444 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 66.5 p -52.13 -37.13 53.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -124.93 128.4 48.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -131.8 148.13 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.0 m -136.87 100.74 4.39 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.611 1.194 . . . . 0.0 110.372 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.467 HD12 ' CB ' ' A' ' 73' ' ' PHE . 1.1 pt -110.05 -179.66 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -75.68 174.76 9.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.27 120.04 34.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.85 -24.61 8.85 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.459 1.1 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.02 177.42 6.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.774 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.38 170.1 11.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.38 179.936 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.51 HG22 ' CE2' ' A' ' 73' ' ' PHE . 4.1 t -131.62 130.63 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 ttpp -97.17 158.25 15.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.496 ' O ' ' CB ' ' A' ' 68' ' ' SER . 4.4 m-90 -125.16 155.72 39.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 107.968 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.8 t -142.14 112.97 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -74.96 149.42 39.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -123.31 -77.42 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -145.26 -179.73 6.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.481 ' CD1' HD13 ' A' ' 14' ' ' LEU . 0.7 OUTLIER 65.03 65.57 0.59 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.558 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -95.89 164.14 19.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.0 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.571 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.2 Cg_endo -74.97 164.21 88.93 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.955 -2.519 . . . . 0.0 110.984 -0.077 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -136.36 99.9 4.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.622 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.8 OUTLIER -110.11 165.99 11.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.244 -179.954 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.1 mp -120.55 101.47 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.162 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -108.4 119.04 57.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.613 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -98.01 107.56 20.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 111.003 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -86.36 114.22 22.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.35 96.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.7 OUTLIER -125.28 62.97 1.17 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 -179.962 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.18 -19.56 6.79 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.583 HG13 ' CD2' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -110.33 177.31 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.51 135.87 39.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -55.25 -45.93 76.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.9 -58.35 8.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.488 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -55.89 -33.95 65.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.413 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -77.27 -21.45 53.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -64.45 -43.32 94.62 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -71.98 -37.98 69.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.092 . . . . 0.0 109.365 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 72' ' ' THR . 0.6 OUTLIER -75.02 -20.75 59.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.949 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -74.08 137.72 43.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 0.0 109.982 -179.949 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.774 ' CE1' ' CD1' ' A' ' 69' ' ' PHE . 3.2 m-70 -122.83 99.84 6.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.592 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.47 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 0.5 OUTLIER -102.19 48.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.75 169.14 15.73 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.461 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 1.4 mm? -105.19 120.91 42.7 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.545 0.791 . . . . 0.0 109.243 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -111.58 107.99 17.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 7.1 m-85 -121.88 -43.01 2.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.59 110.73 13.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.583 1.177 . . . . 0.0 109.284 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.97 98.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 163.22 -27.22 0.23 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -74.37 114.61 12.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 110.354 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 2.3 p -111.95 121.01 43.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.572 1.17 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.774 ' CD1' ' CE1' ' A' ' 58' ' ' HIS . 1.3 m-85 -82.37 177.0 8.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.0 m -145.21 155.54 43.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.354 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.433 ' OG ' ' CD2' ' A' ' 56' ' ' LEU . 15.9 t -139.21 139.75 37.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.011 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.501 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 27.1 m -91.04 111.21 22.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.443 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.51 ' CE2' HG22 ' A' ' 29' ' ' VAL . 4.3 m-30 -95.97 41.57 1.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -67.54 -63.44 1.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.26 119.42 45.83 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.362 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 107.1 2.41 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.535 1.808 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.37 -141.15 3.06 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.452 ' CG2' ' O ' ' A' ' 78' ' ' THR . 15.3 t -145.32 103.33 3.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 0.73 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.613 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 92.9 m-85 -96.86 137.54 35.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.4 m -116.54 116.06 26.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.595 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 28.0 p90 -118.45 137.03 53.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 111.063 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -135.71 178.67 6.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' ARG . 0.1 OUTLIER -77.96 127.7 32.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 108.26 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.536 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -61.75 -49.3 86.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.947 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.0 Cg_endo -75.07 -36.0 2.77 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.459 1.768 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -105.4 36.47 2.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.617 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' CYS . 3.9 ppt_? -68.8 -12.33 61.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 110.261 -179.912 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -140.49 54.87 0.64 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.4 -46.33 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 0.82 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 142.59 45.54 0.05 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.572 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 2.2 ttt -145.09 103.6 3.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 16.7 m -145.79 178.35 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -157.98 156.52 27.42 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.58 1.175 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -119.35 169.54 9.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.509 HG11 ' CE2' ' A' ' 73' ' ' PHE . 45.7 t -145.0 145.41 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.7 t -140.86 103.1 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.49 HG22 ' CD2' ' A' ' 73' ' ' PHE . 59.3 t -92.77 141.17 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -78.24 157.33 29.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.551 ' CB ' ' CG2' ' A' ' 23' ' ' ILE . . . -77.04 163.71 26.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.1 m -137.15 126.33 24.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.362 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.471 ' CG2' HG11 ' A' ' 21' ' ' VAL . 48.9 t -137.33 160.78 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.444 ' CG ' ' HB ' ' A' ' 32' ' ' VAL . 8.5 mttt -127.9 154.32 45.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.5 ptp -94.1 28.37 2.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . 175.96 -136.56 3.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.451 1.094 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.98 157.05 41.21 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.45 0.735 . . . . 0.0 109.973 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.56 70.72 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.68 -70.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.977 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.54 44.02 0.02 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.0 130.12 18.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 0.715 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 pp -74.93 101.02 4.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.4 m -137.73 172.95 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.607 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 21.9 m-85 -123.72 111.06 15.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 19.7 tt0 -145.61 135.14 11.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 110.33 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -74.95 136.91 47.38 Favored 'Cis proline' 0 C--N 1.359 1.097 0 C-N-CA 121.047 -2.48 . . . . 0.0 110.971 0.04 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.0 p -62.22 -25.1 67.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.03 127.91 33.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.365 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.471 HG11 ' CG2' ' A' ' 5' ' ' VAL . 1.0 OUTLIER -135.02 137.67 50.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.935 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.8 m -128.11 112.33 14.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.416 1.072 . . . . 0.0 110.393 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.551 ' CG2' ' CB ' ' A' ' 3' ' ' ALA . 1.2 pp -117.16 -179.99 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' CD1' ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.73 169.06 18.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.72 143.95 28.07 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.193 -179.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.02 9.18 86.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 0.0 110.954 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.35 -179.65 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 110.333 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -127.59 148.61 50.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.547 HG11 ' CZ3' ' A' ' 31' ' ' TRP . 39.8 t -117.18 149.57 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.9 141.27 52.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.547 ' CZ3' HG11 ' A' ' 29' ' ' VAL . 5.7 m-90 -107.31 179.76 4.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 107.954 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 5' ' ' VAL . 4.9 t -137.34 156.7 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -91.11 155.44 18.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 8' ' ' GLY . 22.2 m120 -147.15 -179.42 6.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.175 . . . . 0.0 109.333 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -81.19 179.57 7.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 76.85 61.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.497 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -91.8 161.6 33.34 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 110.03 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.59 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.5 Cg_endo -74.91 159.57 97.78 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.037 -0.054 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.36 117.67 13.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.56 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -112.3 175.26 5.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.8 mt -145.37 107.3 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.8 p -137.32 120.58 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.615 ' CE1' ' CB ' ' A' ' 81' ' ' TYR . 3.7 m-30 -84.86 158.16 20.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.489 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . . . -120.11 141.08 50.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.73 82.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.436 ' O ' ' CG2' ' A' ' 78' ' ' THR . 1.0 OUTLIER -111.0 78.24 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.49 -26.52 19.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.434 HG11 ' CE2' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -95.79 -179.49 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.528 0.781 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.77 150.23 36.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.14 -70.33 0.23 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.68 -32.99 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.499 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 3.1 m -67.21 -77.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -41.07 -38.78 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.37 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.62 -70.58 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -37.5 72.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.575 HD21 ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -62.57 -19.39 63.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 53' ' ' ALA . 4.2 m -88.07 125.41 34.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.026 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.455 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 82.1 m-70 -82.76 101.29 10.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.56 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -92.1 57.37 3.07 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -134.43 179.8 17.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 3.2 mm? -121.72 130.66 53.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.396 0.703 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -124.89 107.87 11.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 12.3 m-85 -125.09 51.4 1.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.606 1.191 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.18 140.26 29.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.68 59.84 3.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.073 . . . . 0.0 109.262 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 169.03 40.05 0.03 OUTLIER Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -117.84 133.7 55.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 110.34 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.0 m -137.04 131.99 33.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.455 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 1.3 m-85 -100.03 171.55 7.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.447 ' O ' ' CE1' ' A' ' 58' ' ' HIS . 1.2 p -135.55 136.81 41.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.408 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.5 t -123.51 146.11 48.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.933 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 m -88.66 114.4 25.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.399 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.686 ' CD2' ' CG2' ' A' ' 97' ' ' VAL . 3.2 m-85 -104.3 62.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 111.045 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.48 -55.63 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.412 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -77.76 123.92 86.44 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.254 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 100.38 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.431 1.753 . . . . 0.0 111.035 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -152.41 -139.43 2.92 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 -179.878 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.436 ' CG2' ' O ' ' A' ' 46' ' ' ASP . 14.6 t -145.53 128.42 16.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 0.794 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.575 ' CE2' HD21 ' A' ' 56' ' ' LEU . 91.1 m-85 -120.59 102.9 8.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.1 p -74.04 100.62 3.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.412 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.615 ' CB ' ' CE1' ' A' ' 43' ' ' PHE . 50.8 p90 -95.24 131.33 41.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.489 ' CE2' ' HB3' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -145.15 -179.73 6.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.984 -179.939 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.03 119.09 23.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 108.35 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.523 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -44.62 -49.87 25.31 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 110.32 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.6 Cg_endo -74.97 -50.07 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.46 1.768 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -87.57 45.22 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.615 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.62 4.73 39.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -157.6 61.76 0.32 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -144.87 -54.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.77 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 159.58 42.08 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.607 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -145.92 99.71 3.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 0.722 . . . . 0.0 111.041 179.97 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 93' ' ' GLY . 73.0 t -145.86 167.27 8.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.417 1.073 . . . . 0.0 109.283 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.524 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -137.36 177.84 19.51 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.27 119.68 9.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 0.753 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.57 ' CG1' ' CZ ' ' A' ' 73' ' ' PHE . 40.2 t -99.73 151.1 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.1 t -142.08 130.87 22.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.228 -179.948 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.686 ' CG2' ' CD2' ' A' ' 73' ' ' PHE . 54.6 t -116.94 142.29 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.6 t0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.954 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -96.96 179.29 4.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.474 ' CB ' ' CG2' ' A' ' 23' ' ' ILE . . . -75.17 148.26 39.73 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.577 1.173 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.9 m -130.24 129.88 43.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.345 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.573 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 81.4 t -132.83 156.36 42.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.77 126.29 43.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.417 ' CG ' ' HA ' ' A' ' 33' ' ' ASN . 9.9 ptp -77.68 53.3 1.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 9' ' ' SER . . . 135.65 134.91 3.39 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 8' ' ' GLY . 0.4 OUTLIER -41.42 162.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.769 . . . . 0.0 110.039 179.945 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -74.24 69.33 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.0 t 71.24 96.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.579 1.174 . . . . 0.0 109.971 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.11 -73.93 0.09 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.21 162.52 36.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.477 ' CD1' ' SD ' ' A' ' 91' ' ' MET . 0.5 OUTLIER -82.38 100.1 9.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.4 m -143.61 134.34 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.51 ' CE2' ' HG3' ' A' ' 91' ' ' MET . 29.4 m-85 -76.48 120.59 21.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.482 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.4 tp10 -143.05 131.06 11.17 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -74.93 135.23 39.51 Favored 'Cis proline' 0 C--N 1.359 1.109 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.004 -0.068 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.9 p -53.16 -31.25 41.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.025 179.924 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.2 m -130.69 114.84 15.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.436 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.469 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -119.16 134.7 61.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.6 m -133.24 108.89 9.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.573 HD12 ' CD2' ' A' ' 73' ' ' PHE . 6.1 pt -114.38 -179.87 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -75.02 179.27 5.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.443 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . . . -96.78 90.8 5.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.63 -16.73 2.23 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.407 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 0.5 OUTLIER -76.34 175.67 8.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.296 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.484 ' OE2' ' CG2' ' A' ' 72' ' ' THR . 1.9 mp0 -116.59 178.01 4.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.438 ' CG2' ' CE2' ' A' ' 73' ' ' PHE . 22.3 t -138.06 109.38 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -90.63 123.99 34.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.362 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.573 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 1.4 m-90 -96.71 169.33 9.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 107.942 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 t -145.56 131.46 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.417 ' HA ' ' CG ' ' A' ' 7' ' ' MET . 49.6 t30 -74.72 140.2 43.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 179.946 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.09 -158.98 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -76.69 -179.54 5.4 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 72.14 23.23 3.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.552 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -76.94 164.57 58.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.088 179.966 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.557 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.2 Cg_endo -75.03 160.64 96.23 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 120.98 -2.509 . . . . 0.0 111.041 0.047 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.403 ' CB ' ' SD ' ' A' ' 7' ' ' MET . 3.1 m-70 -131.73 156.1 46.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 0.0 109.637 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 60' ' ' GLY . 3.5 m-20 -135.85 169.7 17.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.389 1.056 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.8 mt -141.91 99.31 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.91 130.57 66.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.601 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -104.13 100.81 10.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.98 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.555 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . . . -77.19 129.74 36.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.87 91.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 44' ' ' ALA . 3.8 m-20 -121.04 85.1 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.91 -20.01 52.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.573 HG13 ' CD1' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -111.56 -178.79 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.503 0.767 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -74.14 166.87 22.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.04 -57.93 3.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.83 -62.75 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.495 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 20.6 m -45.76 -52.16 11.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.381 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 57' ' ' SER . . . -53.33 -41.51 65.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.07 0.47 24.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 52' ' ' THR . 0.3 OUTLIER -82.11 -50.26 9.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.493 ' H ' ' CD2' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -90.01 -1.85 58.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.39 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.452 ' HB3' ' O ' ' A' ' 53' ' ' ALA . 37.4 p -72.24 166.13 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.96 -179.943 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 92.1 m-70 -145.3 99.65 3.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.623 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -97.43 47.44 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.418 ' O ' ' ND2' ' A' ' 40' ' ' ASN . . . -106.72 -142.05 10.52 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.7 mt -149.28 168.96 21.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 0.716 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.93 102.8 4.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 6.1 m-85 -118.34 -48.47 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.1 132.73 36.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.16 89.53 4.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.03 -28.44 0.2 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.569 1.168 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -74.69 133.14 42.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 0.795 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.9 172.42 12.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.578 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 22.4 m-30 -123.82 165.71 16.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 110.95 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.533 ' O ' ' CE1' ' A' ' 58' ' ' HIS . 12.0 m -136.8 151.35 49.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.398 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.571 ' OG ' ' CZ3' ' A' ' 31' ' ' TRP . 2.5 p -143.9 155.88 44.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.405 1.066 . . . . 0.0 109.954 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.484 ' CG2' ' OE2' ' A' ' 28' ' ' GLU . 25.2 m -114.92 115.99 27.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 110.416 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.575 ' CE2' HG11 ' A' ' 95' ' ' VAL . 6.9 m-30 -99.02 66.83 1.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.462 ' CG2' ' N ' ' A' ' 75' ' ' GLU . 0.4 OUTLIER -86.68 -53.49 4.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.469 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.462 ' N ' ' CG2' ' A' ' 74' ' ' THR . 1.2 tp10 -65.75 119.6 61.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 101.23 1.45 Allowed 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.546 1.814 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.69 -145.11 4.07 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.8 m -141.24 110.66 6.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 0.772 . . . . 0.0 110.426 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.601 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 90.5 m-85 -109.22 138.17 45.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 m -121.41 110.43 16.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.177 . . . . 0.0 110.39 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.578 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 41.5 p90 -107.29 130.52 54.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -131.67 -179.55 5.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 179.961 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.41 ' O ' ' CA ' ' A' ' 87' ' ' ARG . 1.3 t -81.42 135.68 35.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 108.324 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.465 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -62.07 -55.42 41.03 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 110.29 -179.949 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.465 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -75.0 -41.4 0.66 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.484 1.781 . . . . 0.0 111.028 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -96.26 37.4 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.585 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.41 ' CA ' ' O ' ' A' ' 83' ' ' CYS . 7.7 tmm_? -68.61 102.06 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.05 21.57 56.95 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.495 1.122 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.36 -23.03 50.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 148.5 -29.14 1.32 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.595 1.185 . . . . 0.0 110.994 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.51 ' HG3' ' CE2' ' A' ' 16' ' ' PHE . 14.8 ptm -103.38 122.25 44.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.78 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 93' ' ' GLY . 54.6 t -145.97 165.87 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.491 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -123.99 150.8 17.02 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 tttp -134.32 103.38 5.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 109.255 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.575 HG11 ' CE2' ' A' ' 73' ' ' PHE . 3.0 t -90.93 147.34 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.353 179.917 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.1 t -144.58 116.34 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.443 ' CG1' ' HA ' ' A' ' 25' ' ' ALA . 37.4 t -98.2 144.34 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -138.69 176.37 8.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.454 ' CB ' HG23 ' A' ' 23' ' ' ILE . . . -79.19 118.26 20.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 27.4 m -84.4 128.31 34.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.436 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.606 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 79.8 t -139.9 100.27 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.0 143.91 45.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -80.42 -63.13 1.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.431 ' HA3' ' CB ' ' A' ' 34' ' ' ASN . . . -88.75 -152.92 26.18 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.424 1.077 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 13' ' ' ALA . 31.1 p -121.73 158.81 27.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.978 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -88.08 66.94 8.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.0 t -176.39 -69.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.3 44.44 0.04 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.438 1.086 . . . . 0.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -143.03 129.73 20.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 0.744 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.71 100.69 11.04 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -145.27 131.47 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.221 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.498 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 41.9 m-85 -82.07 116.76 21.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.946 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.452 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.8 tt0 -142.75 130.18 11.08 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.94 132.62 28.15 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.032 -0.096 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.431 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 99.8 p -54.7 -36.47 64.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.005 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.1 m -123.28 121.8 36.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.423 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.428 HG12 ' CG2' ' A' ' 5' ' ' VAL . 1.0 OUTLIER -124.74 144.83 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 m -132.96 100.42 4.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.454 HG23 ' CB ' ' A' ' 3' ' ' ALA . 1.1 pt -111.86 -179.7 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.928 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -80.54 176.26 9.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.73 134.14 35.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.21 -20.9 45.34 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.97 179.67 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 110.263 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -121.64 178.48 4.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.583 1.177 . . . . 0.0 110.342 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.563 HG23 ' CE2' ' A' ' 73' ' ' PHE . 3.0 t -143.65 116.5 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 109.36 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -82.13 161.03 22.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.606 ' CD1' ' O ' ' A' ' 5' ' ' VAL . 2.4 m-90 -127.49 175.12 8.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 107.964 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.2 t -136.22 131.69 49.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 64' ' ' ALA . 0.5 OUTLIER -75.96 128.04 34.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.431 ' CB ' ' HA3' ' A' ' 8' ' ' GLY . 10.9 m120 -120.42 176.97 5.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.4 OUTLIER -81.53 174.71 11.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 -179.937 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 mt 80.02 70.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.109 . . . . 0.0 109.371 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.507 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -85.43 161.99 49.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 -179.935 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.587 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.3 Cg_endo -74.96 159.77 97.52 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.046 -2.481 . . . . 0.0 110.999 -0.06 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.443 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 0.7 OUTLIER -139.44 108.78 6.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.543 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.42 ' ND2' ' HB2' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -135.67 177.06 8.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.933 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.534 ' HB ' ' CE1' ' A' ' 58' ' ' HIS . 3.8 mp -122.86 102.58 11.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.26 107.83 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.628 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -87.66 109.46 19.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.087 179.927 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.525 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . . . -86.26 112.11 21.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.173 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.11 96.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 1.128 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 44' ' ' ALA . 14.4 p-10 -119.7 73.34 0.96 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.28 -32.01 6.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.599 HG12 ' CD1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -88.8 -179.33 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.77 . . . . 0.0 109.347 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -74.22 170.14 16.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.11 -64.39 1.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.338 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -46.73 -44.8 19.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 179.975 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.496 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 87.3 m -56.72 -56.85 16.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.38 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.28 -22.79 63.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 51' ' ' ASP . . . -58.19 -70.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -57.77 -38.62 75.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.258 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.53 HD13 ' CE1' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -54.3 -36.76 64.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.949 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 77.0 p -79.89 132.1 36.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.997 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.534 ' CE1' ' HB ' ' A' ' 41' ' ' ILE . 7.3 p80 -133.23 99.61 4.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.604 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.75 -82.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 109.327 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.55 -51.11 3.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.1 mm? 68.12 53.51 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.11 135.52 33.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.587 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 7.9 m-85 -126.15 32.47 5.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.446 ' O ' ' ND2' ' A' ' 33' ' ' ASN . . . -120.24 -179.14 3.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -119.71 93.39 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.35 -32.28 0.54 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -74.58 117.91 16.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 0.724 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.7 m -115.47 158.44 22.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.968 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.411 ' HB3' ' ND1' ' A' ' 58' ' ' HIS . 26.3 m-85 -118.74 174.6 6.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.7 m -144.14 155.45 43.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.9 t -136.83 141.48 42.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.5 m -87.81 99.65 12.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.396 1.06 . . . . 0.0 110.324 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.582 ' CZ ' HG11 ' A' ' 95' ' ' VAL . 4.5 m-30 -86.78 55.27 3.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.4 m -74.99 -70.24 0.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 110.379 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.43 124.7 83.71 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 113.84 3.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.517 1.798 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -164.92 -158.95 10.78 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.3 m -128.33 94.61 3.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 0.775 . . . . 0.0 110.345 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.628 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 98.4 m-85 -89.52 137.42 32.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.3 m -115.99 115.02 25.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.478 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.58 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 30.1 p90 -115.75 124.94 52.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.935 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.525 ' CE2' ' HB3' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -122.99 -178.93 4.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 111.029 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.13 125.02 31.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.419 1.074 . . . . 0.0 108.267 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.518 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.7 OUTLIER -42.94 -50.37 13.58 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.296 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -74.97 -56.32 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.05 58.02 2.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.595 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.4 70.42 1.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.74 41.79 0.24 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 111.041 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -118.37 -78.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -178.11 34.93 0.08 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.57 1.169 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.498 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -145.46 98.66 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 110.962 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.1 t -146.33 168.01 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -137.87 139.59 10.52 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.408 1.067 . . . . 0.0 111.073 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.36 147.84 28.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 0.778 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.582 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 51.5 t -121.55 147.69 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.6 t -143.44 104.4 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.444 HG21 ' CD2' ' A' ' 73' ' ' PHE . 59.5 t -99.98 143.26 14.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.334 -180.0 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.401 ' O ' ' OE2' ' A' ' 27' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -145.7 177.35 8.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.68 101.97 14.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.0 m -79.34 128.11 32.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.388 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.2 t -144.33 118.54 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.937 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 137.4 32.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.473 ' HE3' ' CD1' ' A' ' 41' ' ' ILE . 1.9 ttm -103.51 74.44 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.404 ' O ' ' CG ' ' A' ' 34' ' ' ASN . . . 119.99 104.09 2.02 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.477 1.111 . . . . 0.0 111.075 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.1 p -41.12 150.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.982 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.88 58.94 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.27 -67.74 0.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.13 53.55 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.29 114.16 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.422 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 1.1 pt? -74.74 100.44 4.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -145.6 177.55 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.559 ' CD2' ' HB2' ' A' ' 91' ' ' MET . 63.8 m-85 -122.5 103.5 8.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 -179.947 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 1.6 tp10 -137.33 123.78 13.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.463 ' HA ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.98 143.5 78.0 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.006 -2.498 . . . . 0.0 111.022 -0.058 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 p -74.53 -25.32 59.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 110.029 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.8 m -131.45 124.63 30.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.455 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -136.96 156.89 35.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.949 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 53.1 m -121.02 104.86 10.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.396 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.522 ' CD1' ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -108.72 146.36 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.364 179.944 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.522 ' O ' ' CD1' ' A' ' 23' ' ' ILE . 1.0 OUTLIER -73.22 166.61 22.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.966 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.62 149.04 38.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.69 -28.44 6.44 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.401 ' OE2' ' O ' ' A' ' 1' ' ' ALA . 0.3 OUTLIER -75.41 174.59 9.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 110.275 -179.99 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -127.4 -179.93 5.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 30' ' ' LYS . 4.0 t -127.58 161.76 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.464 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 6.4 ttmt -134.73 141.07 46.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.513 ' CG ' HD11 ' A' ' 41' ' ' ILE . 2.1 m-90 -117.78 127.29 53.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.02 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.2 t -110.23 108.74 26.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -75.49 146.56 40.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.373 1.046 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 8' ' ' GLY . 9.9 m120 -123.01 -71.4 0.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -145.12 179.93 7.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.592 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 3.1 mp 70.24 57.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.363 -179.948 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.503 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -97.94 161.65 24.9 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 -179.935 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.503 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.95 160.24 96.82 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.093 -2.461 . . . . 0.0 111.003 -0.048 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -134.59 107.48 7.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.609 179.969 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.44 164.72 11.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.513 HD11 ' CG ' ' A' ' 31' ' ' TRP . 5.7 mt -128.01 104.85 12.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.88 122.77 61.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.631 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -99.51 99.91 10.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.562 ' HB2' ' CE2' ' A' ' 82' ' ' TYR . . . -74.47 108.69 7.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.31 98.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.1 80.93 1.87 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.99 -27.77 9.36 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.562 HG11 ' CE1' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -97.02 -179.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.07 156.95 36.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -71.12 -66.66 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.43 -32.9 5.49 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.508 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 53.6 m -66.99 -43.37 83.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.396 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.54 -4.55 58.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -73.01 -48.54 35.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -79.55 -40.59 29.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.694 ' CD2' ' CE1' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -59.81 -28.46 67.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.1 p -80.08 161.58 25.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.597 1.185 . . . . 0.0 110.003 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -135.49 99.86 4.34 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.51 1.131 . . . . 0.0 109.618 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -100.93 57.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -133.86 -168.73 11.89 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.554 1.159 . . . . 0.0 111.047 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -127.82 156.66 42.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 0.785 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.49 129.58 18.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.486 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 15.2 m-85 -133.39 43.12 2.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.68 106.91 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.24 86.31 1.09 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.79 -32.81 0.13 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.558 1.161 . . . . 0.0 111.074 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -76.21 156.33 33.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 3.3 p -144.16 128.26 17.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.972 -179.952 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -75.07 171.66 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.3 m -141.29 147.66 38.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 90.7 p -145.04 127.04 15.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 109.993 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.497 ' O ' ' CG ' ' A' ' 56' ' ' LEU . 99.0 m -101.87 136.51 41.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.694 ' CE1' ' CD2' ' A' ' 56' ' ' LEU . 3.6 m-85 -109.21 80.44 1.32 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.174 . . . . 0.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.7 p -60.71 -54.39 45.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.412 -179.947 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -88.72 126.73 58.77 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.266 179.939 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.16 104.67 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.33 -142.43 3.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.4 m -134.9 102.29 5.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.631 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 98.2 m-85 -97.25 140.16 32.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 111.084 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 p -121.73 111.91 17.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.399 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.614 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 39.6 p90 -110.18 142.11 42.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -144.98 173.17 12.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 -179.969 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 1.108 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 57.3 m -79.62 129.16 34.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 108.316 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.489 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -54.68 -52.33 71.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.341 179.964 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.09 -47.34 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.785 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.01 46.11 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.622 179.949 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.478 ' CA ' ' O ' ' A' ' 83' ' ' CYS . 10.9 ttt180 -66.68 -46.65 74.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.38 39.38 2.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -92.3 -78.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -176.45 33.57 0.08 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.467 1.105 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 1.108 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER -145.66 117.2 8.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 111.046 179.994 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 25.0 t -145.67 166.15 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.226 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.52 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -143.87 151.65 23.54 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.21 110.07 8.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.476 HG11 ' CE2' ' A' ' 73' ' ' PHE . 55.6 t -98.91 141.57 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.9 t -125.25 134.62 66.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.562 HG23 ' CD2' ' A' ' 73' ' ' PHE . 97.5 t -128.48 147.88 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.963 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -75.89 173.14 11.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.69 149.49 22.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.352 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.9 m -144.15 129.34 18.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.422 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.472 ' CG2' HG11 ' A' ' 21' ' ' VAL . 64.3 t -135.19 126.43 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.632 1.207 . . . . 0.0 109.244 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -97.72 145.01 26.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.497 ' O ' ' CG ' ' A' ' 7' ' ' MET . 0.6 OUTLIER -109.69 101.04 9.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.935 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.77 93.8 2.3 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 179.958 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.5 p -49.26 143.29 6.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 0.781 . . . . 0.0 110.015 -179.94 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -77.02 58.84 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.4 t -148.06 -60.66 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.026 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.3 43.48 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.97 117.24 8.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 0.799 . . . . 0.0 109.314 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.409 ' N ' HD22 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -80.91 100.4 8.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.0 m -144.39 172.22 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.511 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 28.5 m-85 -115.43 105.67 13.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.479 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 9.5 mt-10 -133.77 133.4 22.3 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.98 132.47 27.66 Favored 'Cis proline' 0 C--N 1.359 1.121 0 C-N-CA 121.089 -2.463 . . . . 0.0 110.958 -0.031 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.439 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 88.0 p -52.41 -36.64 54.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 110.027 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -127.83 138.74 52.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.472 HG11 ' CG2' ' A' ' 5' ' ' VAL . 1.1 m -141.67 156.89 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.0 m -124.23 101.58 7.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.117 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -110.25 146.41 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.594 1.184 . . . . 0.0 109.406 179.914 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.498 ' O ' ' CD1' ' A' ' 23' ' ' ILE . 16.5 mttt -73.83 168.7 18.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.383 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.87 145.74 36.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.17 -17.0 40.11 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.536 1.147 . . . . 0.0 110.975 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.49 177.44 8.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -128.34 168.83 14.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.567 ' HB ' ' CZ3' ' A' ' 31' ' ' TRP . 36.1 t -132.88 136.68 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.96 145.7 30.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.567 ' CZ3' ' HB ' ' A' ' 29' ' ' VAL . 8.4 m-90 -124.86 121.7 35.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.04 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.7 t -106.57 129.35 60.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -97.27 153.38 18.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.591 1.182 . . . . 0.0 109.26 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -135.18 -85.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.85 178.67 6.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.409 HD22 ' N ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER 79.74 30.53 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 179.969 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.499 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -70.2 161.83 73.35 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 179.976 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.499 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.98 162.44 92.84 Favored 'Cis proline' 0 C--N 1.361 1.206 0 C-N-CA 121.035 -2.485 . . . . 0.0 110.99 -0.003 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.467 ' CG ' ' HG3' ' A' ' 7' ' ' MET . 0.6 OUTLIER -139.6 103.12 4.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.649 179.927 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -119.23 141.83 48.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 58' ' ' HIS . 13.0 mm -93.25 98.27 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -101.9 101.17 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.63 ' CE2' ' CB ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -65.68 125.21 24.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 -179.969 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.469 ' HB2' ' CE2' ' A' ' 82' ' ' TYR . . . -104.75 100.0 9.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.18 98.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -122.48 60.49 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.5 -17.24 8.39 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.575 1.172 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.6 HG13 ' CD2' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -102.32 178.88 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.28 -179.939 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.84 139.15 32.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -56.51 -52.09 66.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -46.06 -54.91 7.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.467 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 34.4 m -55.9 -35.24 66.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 179.969 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.31 -24.41 54.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.578 1.174 . . . . 0.0 109.287 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -67.2 -28.01 67.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.78 -38.32 19.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.63 ' CB ' ' CE2' ' A' ' 43' ' ' PHE . 1.9 mp -84.97 0.44 51.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.244 -179.912 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.2 m -82.02 153.54 26.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.026 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.59 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 86.8 m-70 -144.84 101.91 3.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.563 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -132.89 30.37 4.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -88.32 15.75 55.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.14 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.691 ' CD1' ' CE2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER 75.93 161.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 0.751 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.586 ' O ' ' CD1' ' A' ' 63' ' ' PHE . . . -145.0 106.23 4.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.691 ' CE2' ' CD1' ' A' ' 61' ' ' LEU . 10.3 m-85 -158.16 44.62 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.55 100.25 3.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.86 117.8 3.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.0 24.59 6.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -112.78 123.18 49.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 6.7 p -126.66 121.54 32.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.59 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 17.6 m-85 -78.96 171.18 15.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.9 m -143.72 147.1 33.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.468 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.428 ' HB2' ' CB ' ' A' ' 56' ' ' LEU . 9.5 p -143.45 145.65 32.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 110.026 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.473 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 21.9 m -117.18 135.66 53.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.421 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.604 ' CE2' HG12 ' A' ' 95' ' ' VAL . 3.6 m-85 -104.69 82.14 1.86 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.7 p -52.81 -70.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.592 1.182 . . . . 0.0 110.467 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.39 142.92 35.77 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 120.31 6.01 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.472 1.775 . . . . 0.0 111.04 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -164.84 -138.8 2.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.462 ' CG2' ' HE3' ' A' ' 94' ' ' LYS . 20.2 m -143.49 119.91 10.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 0.8 . . . . 0.0 110.411 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.6 ' CD2' HG13 ' A' ' 48' ' ' VAL . 96.9 m-85 -113.29 106.86 15.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 54.1 m -88.28 110.41 20.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.362 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -113.73 131.31 56.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.552 1.158 . . . . 0.0 110.985 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.527 ' CD1' ' HG2' ' A' ' 87' ' ' ARG . 0.5 OUTLIER -130.79 169.23 15.99 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.748 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 20.4 m -77.54 129.57 35.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 108.274 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 3.0 tt0 -63.16 -51.57 68.66 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -75.0 -12.66 21.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.588 1.836 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.83 52.83 1.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.597 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.527 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -67.14 -56.95 7.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.225 -179.96 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.21 48.91 1.25 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.11 45.2 2.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.465 0.744 . . . . 0.0 109.35 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 50.17 39.35 34.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.748 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER -134.69 99.3 4.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.526 0.78 . . . . 0.0 110.962 179.95 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.5 t -145.9 171.24 4.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -151.89 138.16 6.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.462 ' HE3' ' CG2' ' A' ' 78' ' ' THR . 4.4 tttt -126.41 115.86 20.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 0.78 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.604 HG12 ' CE2' ' A' ' 73' ' ' PHE . 57.9 t -104.01 133.14 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.246 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.6 t -110.92 133.0 57.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.592 HG21 ' CD2' ' A' ' 73' ' ' PHE . 82.7 t -129.23 140.97 47.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.924 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.425 ' N ' HG13 ' A' ' 97' ' ' VAL . 5.7 m-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.266 -179.944 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -145.55 135.08 23.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.355 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.478 ' CB ' HG21 ' A' ' 23' ' ' ILE . . . -87.28 132.39 33.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 49.7 m -136.36 118.46 15.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.434 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.422 HG11 ' N ' ' A' ' 6' ' ' LYS . 19.8 t -125.79 150.12 30.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.422 ' N ' HG11 ' A' ' 5' ' ' VAL . 2.7 mtmt -140.44 123.48 16.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.7 ptp -84.06 145.72 28.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.962 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' SER . . . 68.32 92.18 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.142 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' GLY . 2.4 m -38.6 149.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -74.08 59.18 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -148.96 -70.46 0.21 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.482 1.114 . . . . 0.0 110.062 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.55 43.05 0.03 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.1 . . . . 0.0 111.067 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.4 ' N ' HD23 ' A' ' 36' ' ' LEU . . . -145.22 150.36 36.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -97.58 102.26 13.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -143.47 156.75 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.4 1.062 . . . . 0.0 109.316 179.946 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -100.97 111.06 23.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -140.45 123.89 10.31 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.275 179.948 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.415 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -74.99 135.7 41.74 Favored 'Cis proline' 0 C--N 1.361 1.222 0 C-N-CA 121.032 -2.487 . . . . 0.0 111.027 0.028 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.0 p -57.63 -33.27 68.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.015 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.5 m -133.65 131.09 39.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 0.0 110.425 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -127.59 137.65 57.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.6 m -122.34 101.22 7.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.428 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.478 HG21 ' CB ' ' A' ' 3' ' ' ALA . 1.1 pp -108.16 -179.02 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.545 1.153 . . . . 0.0 109.36 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.01 179.4 6.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.18 89.0 4.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.62 -14.6 2.23 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -74.71 -179.67 4.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -122.87 173.9 7.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.26 -179.972 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.509 HG21 ' CZ ' ' A' ' 73' ' ' PHE . 77.7 t -134.91 159.95 41.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -135.28 147.78 49.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.566 ' CD1' HD11 ' A' ' 41' ' ' ILE . 6.4 m-90 -128.16 143.33 51.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 108.01 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.5 t -132.82 140.24 47.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.17 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -94.9 148.5 22.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -133.75 -88.87 0.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -119.38 -179.7 3.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.63 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 1.7 mm? 60.9 71.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.238 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.574 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -126.17 164.95 30.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 110.008 179.966 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.574 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -74.99 153.46 99.18 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.981 -0.032 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.63 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -142.26 125.15 16.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.582 -179.982 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -103.12 173.68 6.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.173 . . . . 0.0 109.288 179.963 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.566 HD11 ' CD1' ' A' ' 31' ' ' TRP . 81.2 mt -132.97 102.06 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.357 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.475 ' CG1' ' HG2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -104.46 161.59 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.936 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.584 ' CE1' ' HB3' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -138.92 97.63 3.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 -179.986 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -77.29 114.29 15.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.16 96.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 44' ' ' ALA . 7.3 p-10 -109.91 66.86 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.82 -26.04 9.15 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.467 1.104 . . . . 0.0 111.075 -179.958 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.561 HG12 ' CD2' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -90.42 -179.51 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.78 170.69 15.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 179.952 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -84.17 -64.78 1.1 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.238 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -46.17 -39.69 10.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.503 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 19.4 m -60.83 -55.4 33.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.47 -2.8 30.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.94 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -73.33 -48.41 34.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -85.14 -37.43 20.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -32.02 69.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.8 p -79.04 155.83 28.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.0 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.477 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 68.9 m-70 -128.08 100.04 5.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.619 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -93.8 29.76 1.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -180.0 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.29 -171.89 43.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 0.7 OUTLIER -126.89 146.46 50.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.55 116.67 29.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.556 ' CZ ' ' HB3' ' A' ' 61' ' ' LEU . 17.8 m-30 -124.24 -47.69 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.23 128.97 34.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.35 67.22 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 169.75 41.86 0.03 OUTLIER Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.428 1.08 . . . . 0.0 111.028 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -122.22 101.34 7.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 0.729 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.0 p -104.29 145.09 30.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.933 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.477 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 11.6 m-85 -104.31 172.32 6.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.4 m -144.29 148.92 35.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 110.413 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.4 p -143.32 164.63 29.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.983 -179.966 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.4 m -120.97 113.07 19.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.576 ' CE2' HG13 ' A' ' 95' ' ' VAL . 5.4 m-30 -92.99 68.8 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.8 m -84.59 -60.56 2.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 110.478 179.904 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.5 123.6 88.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 110.77 3.18 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.456 1.767 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.6 -146.52 4.43 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.142 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.5 m -145.14 87.53 1.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 0.754 . . . . 0.0 110.482 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.572 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 94.9 m-85 -81.37 143.34 32.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.936 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.0 m -126.52 115.45 19.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.419 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.584 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 28.6 p90 -116.83 135.43 53.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 111.049 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.78 -179.43 6.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 87' ' ' ARG . 1.7 t -85.35 118.97 25.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 108.355 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 2.9 mt-10 -36.75 -53.69 1.81 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.315 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.1 Cg_endo -75.02 -48.2 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.481 1.779 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -95.76 53.09 1.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 109.501 -179.892 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 83' ' ' CYS . 2.3 ptp180 -82.91 53.89 2.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.72 51.08 0.14 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.485 1.115 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -123.9 26.07 7.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 113.1 -26.94 9.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.432 ' O ' ' HG3' ' A' ' 91' ' ' MET . 26.0 ptm -109.46 119.75 40.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 0.762 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.435 ' CG1' ' N ' ' A' ' 93' ' ' GLY . 91.2 t -146.24 168.34 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.482 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -133.15 133.53 7.05 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.426 1.079 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.34 119.36 24.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 109.368 179.937 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.576 HG13 ' CE2' ' A' ' 73' ' ' PHE . 2.3 t -109.47 144.95 16.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.1 t -140.62 105.41 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.916 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.555 HG23 ' CD2' ' A' ' 73' ' ' PHE . 61.3 t -87.82 141.41 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 t0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.935 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -145.01 -179.95 6.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.83 115.04 15.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.96 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 89.7 m -81.1 130.08 34.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.418 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.456 ' CG2' HG13 ' A' ' 21' ' ' VAL . 42.1 t -145.18 105.39 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.368 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.56 121.79 22.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.413 ' CE ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -66.22 -29.51 69.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.984 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -122.35 -149.53 7.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 111.064 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -126.38 161.56 27.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 110.004 179.915 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -74.23 68.14 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.3 t 70.83 81.38 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.12 -79.31 0.04 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.547 1.154 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -143.33 179.29 7.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.46 100.06 9.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.4 m -145.05 150.58 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.566 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 64.0 m-85 -91.79 121.09 33.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HA ' ' N ' ' A' ' 19' ' ' SER . 9.7 tt0 -144.23 123.36 7.15 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.301 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.418 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.97 129.25 18.12 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.019 -0.016 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.429 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 46.0 p -51.17 -30.59 17.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.399 1.062 . . . . 0.0 109.961 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.0 m -127.3 110.42 12.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.41 179.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.456 HG13 ' CG2' ' A' ' 5' ' ' VAL . 1.0 OUTLIER -115.91 132.77 64.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.925 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.6 m -127.03 102.8 7.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.421 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.582 HD12 ' CD2' ' A' ' 73' ' ' PHE . 1.5 pt -107.44 179.0 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 0.0 109.352 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -75.81 171.75 13.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 98' ' ' ASP . . . -89.07 126.65 35.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.56 1.162 . . . . 0.0 109.255 -179.925 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.7 -17.61 32.93 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.934 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.44 -179.62 6.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.803 . . . . 0.0 110.343 179.917 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -123.45 180.0 4.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.546 HG13 ' CZ3' ' A' ' 31' ' ' TRP . 2.8 t -144.49 147.98 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.402 1.064 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -120.34 155.73 32.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.411 1.069 . . . . 0.0 109.277 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.546 ' CZ3' HG13 ' A' ' 29' ' ' VAL . 19.3 m-90 -134.78 109.78 8.78 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.6 t -74.89 136.08 25.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.418 ' ND2' ' HB2' ' A' ' 62' ' ' ALA . 13.3 t-20 -75.1 116.78 16.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.597 1.186 . . . . 0.0 109.372 179.954 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -102.99 -174.04 2.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.933 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.01 178.36 5.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mp 74.51 26.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 -179.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.521 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -64.52 162.46 34.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.023 179.948 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.521 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.01 161.46 94.8 Favored 'Cis proline' 0 C--N 1.361 1.216 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.992 -0.037 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -139.25 101.77 4.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.618 -179.936 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.416 ' ND2' HG22 ' A' ' 42' ' ' VAL . 12.3 p-10 -101.93 170.09 8.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 58' ' ' HIS . 6.1 mt -132.73 98.75 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.416 HG22 ' ND2' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -99.7 118.14 45.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.593 ' CE2' ' HB3' ' A' ' 56' ' ' LEU . 0.6 OUTLIER -80.41 93.56 6.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.914 -179.945 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.46 108.14 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.923 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.49 99.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -116.63 53.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.12 -7.9 8.06 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.617 HG12 ' CD1' ' A' ' 79' ' ' TYR . 1.5 p -105.51 -179.61 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.357 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.18 143.38 41.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.599 1.187 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.54 -61.58 2.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.219 -179.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -46.54 -39.39 10.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.956 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.485 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 43.3 m -63.43 -53.34 53.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.476 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -59.02 -26.51 64.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.82 -55.34 35.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -69.65 -32.85 71.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.593 ' HB3' ' CE2' ' A' ' 43' ' ' PHE . 12.4 mt -82.6 1.13 39.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 2.6 m -101.05 156.09 17.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.971 -179.944 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.508 ' CE1' ' CD1' ' A' ' 69' ' ' PHE . 28.1 m-70 -135.88 98.52 3.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.6 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -94.0 25.0 3.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.43 -162.87 38.62 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 mp -144.03 165.73 26.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.418 ' HB2' ' ND2' ' A' ' 33' ' ' ASN . . . -145.07 123.25 12.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.504 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 11.0 m-85 -129.92 13.54 5.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -129.16 151.9 49.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.13 63.78 5.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.32 37.67 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -135.78 101.28 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 110.289 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.93 130.62 56.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.508 ' CD1' ' CE1' ' A' ' 58' ' ' HIS . 5.7 m-85 -82.98 171.93 13.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.426 1.079 . . . . 0.0 111.051 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.427 ' O ' ' NE2' ' A' ' 58' ' ' HIS . 6.2 m -138.02 152.17 48.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 -179.951 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.9 t -142.01 142.83 32.94 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.446 ' O ' ' CD2' ' A' ' 56' ' ' LEU . 74.6 m -87.05 117.17 25.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.445 1.091 . . . . 0.0 110.367 -179.937 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.582 ' CD2' HD12 ' A' ' 23' ' ' ILE . 3.3 m-30 -104.57 64.1 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.52 -57.1 2.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.464 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.21 119.35 64.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 101.22 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.448 1.762 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.68 -154.88 7.56 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.0 m -124.68 126.52 45.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 0.739 . . . . 0.0 110.316 -179.87 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.617 ' CD1' HG12 ' A' ' 48' ' ' VAL . 88.3 m-85 -120.05 105.83 11.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.5 m -80.61 100.18 8.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.418 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.554 ' CE1' ' HA3' ' A' ' 93' ' ' GLY . 20.9 p90 -107.95 132.1 53.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 111.045 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -144.19 -179.6 6.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -83.34 131.06 35.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 108.336 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.522 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 3.1 mt-10 -46.96 -50.33 45.71 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.03 -57.59 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.495 1.787 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -85.68 68.03 10.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.62 -64.01 1.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 179.931 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.21 50.0 0.86 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.71 -34.07 6.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 147.85 -20.85 1.45 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.566 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -91.16 102.92 15.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 0.747 . . . . 0.0 110.974 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.434 ' C ' ' CD2' ' A' ' 16' ' ' PHE . 4.1 t -146.06 149.25 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.554 ' HA3' ' CE1' ' A' ' 81' ' ' TYR . . . -119.19 154.78 16.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.493 1.12 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -127.99 112.65 14.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 0.806 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.569 HG12 ' CE2' ' A' ' 73' ' ' PHE . 2.8 t -95.98 139.85 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.7 t -139.94 110.99 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 93.9 t -93.37 144.81 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 25' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -144.55 167.36 22.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.95 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.58 114.18 19.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.236 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 m -82.93 130.83 35.19 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.536 1.148 . . . . 0.0 110.362 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 70.2 t -144.9 106.7 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.22 138.44 38.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.497 ' CE ' ' O ' ' A' ' 39' ' ' HIS . 1.9 ptm -89.32 43.24 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.387 1.054 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 169.28 -141.39 6.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.394 1.059 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.5 m -156.97 141.36 16.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.055 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -76.8 66.95 2.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.396 1.06 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.83 -79.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.91 41.14 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 111.046 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.72 140.74 28.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.564 HD12 ' CE1' ' A' ' 86' ' ' HIS . 0.9 OUTLIER -97.51 98.97 10.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -146.1 149.52 16.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.408 ' CD1' ' HE2' ' A' ' 81' ' ' TYR . 75.1 m-85 -88.18 120.0 29.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.477 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 2.8 tt0 -141.97 117.34 6.93 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.252 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.477 ' HA ' ' HA ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -74.94 138.47 56.27 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.974 -2.511 . . . . 0.0 110.996 -0.068 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.6 p -65.25 -31.52 72.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 0.0 110.003 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.0 m -129.59 123.89 32.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.415 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 1.2 m -127.3 155.89 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.0 m -138.65 100.74 4.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.378 -179.931 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.405 HD11 ' CB ' ' A' ' 73' ' ' PHE . 1.3 pp -108.11 -178.86 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -74.37 177.72 5.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.233 -179.929 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.455 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . . . -100.34 91.72 4.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.88 -15.03 2.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.914 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.41 174.54 9.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 110.315 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.452 ' HG3' ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -119.16 147.49 44.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 110.246 -179.956 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.418 HG23 ' CE2' ' A' ' 73' ' ' PHE . 3.0 t -116.85 140.92 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -120.07 155.02 33.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.243 -179.952 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 18.6 m-90 -120.76 168.21 11.67 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.3 t -145.23 129.63 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -98.57 134.39 41.58 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -119.72 -73.73 0.63 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.558 1.161 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.04 172.56 12.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.372 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.615 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.4 OUTLIER 71.95 71.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 179.969 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.455 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -124.62 159.95 55.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.398 1.061 . . . . 0.0 109.991 -179.976 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.532 ' HG3' ' CZ ' ' A' ' 63' ' ' PHE . 18.5 Cg_endo -75.04 157.08 99.8 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.051 -2.479 . . . . 0.0 110.994 0.004 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.615 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -142.24 112.19 6.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 109.594 -179.975 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -96.58 172.06 8.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 58' ' ' HIS . 25.5 mt -134.25 104.22 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 -179.966 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.07 122.2 60.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.407 1.067 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.629 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -94.6 95.89 9.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.497 ' HB1' ' CZ ' ' A' ' 82' ' ' TYR . . . -73.85 121.45 20.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.85 99.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -121.25 55.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.935 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 132.54 -13.67 5.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -112.59 177.96 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 0.782 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -74.59 170.59 15.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 1.069 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -80.06 -70.14 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.24 -179.957 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 50' ' ' ALA . 2.9 m-20 -39.55 -38.38 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.502 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 6.1 m -63.02 -54.24 41.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.79 -11.54 60.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -63.31 -63.81 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -36.88 83.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.532 HD21 ' CD2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -62.89 -30.67 71.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.6 m -74.71 162.2 28.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.952 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.468 ' ND1' ' CD1' ' A' ' 69' ' ' PHE . 82.4 m-70 -140.61 99.76 3.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.621 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -84.89 -51.76 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -43.95 107.2 0.12 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.946 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -53.48 -173.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 0.0 109.353 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.06 124.07 15.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.214 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.532 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 8.8 m-85 -125.5 45.26 2.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.11 126.1 14.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.47 90.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.24 -179.911 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 130.94 45.21 0.16 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -96.3 127.22 42.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 110.246 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.0 m -132.04 112.19 12.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.014 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.468 ' CD1' ' ND1' ' A' ' 58' ' ' HIS . 1.4 m-85 -87.35 170.13 11.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.452 ' CG2' ' HG3' ' A' ' 28' ' ' GLU . 12.3 m -128.17 151.15 49.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.46 ' OG ' ' CD2' ' A' ' 56' ' ' LEU . 29.0 t -144.46 138.13 27.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.043 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.488 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 17.4 m -97.34 115.32 27.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 110.451 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.559 ' CZ ' HG12 ' A' ' 95' ' ' VAL . 3.5 m-30 -96.8 52.32 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.056 179.959 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.0 m -74.18 -65.98 0.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.7 122.52 74.69 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 105.76 2.14 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.447 1.762 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.33 -141.68 3.25 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.939 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 18.6 m -145.01 97.33 3.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.407 0.71 . . . . 0.0 110.401 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.629 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 85.9 m-85 -88.11 134.45 33.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 111.088 179.907 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 41.7 p -117.72 109.58 16.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.416 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.609 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 34.3 p90 -110.34 127.68 55.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.549 ' CD1' ' CG ' ' A' ' 87' ' ' ARG . 0.4 OUTLIER -133.77 176.64 8.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 -179.98 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.436 ' O ' ' CA ' ' A' ' 87' ' ' ARG . 0.5 OUTLIER -84.55 135.9 34.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 108.367 179.931 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.508 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 2.0 mt-10 -56.3 -51.07 83.78 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -75.0 -47.79 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.443 1.76 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.564 ' CE1' HD12 ' A' ' 14' ' ' LEU . 29.5 m80 -92.29 36.66 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.389 1.056 . . . . 0.0 109.566 -179.933 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.549 ' CG ' ' CD1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -74.35 91.34 2.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 -179.945 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.92 12.53 57.71 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -179.938 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.81 -34.53 62.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 0.737 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.56 -35.27 0.17 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 0.0 111.076 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.508 ' SD ' ' CD1' ' A' ' 14' ' ' LEU . 11.4 ptm -96.78 120.8 37.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 0.781 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.3 t -147.23 153.46 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.415 ' HA3' ' CE1' ' A' ' 81' ' ' TYR . . . -118.0 151.05 18.09 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.32 93.79 2.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 0.795 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.559 HG12 ' CZ ' ' A' ' 73' ' ' PHE . 1.4 t -81.08 148.34 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 0.0 109.268 179.972 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.8 t -139.49 112.92 6.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.944 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.5 HG21 ' CD2' ' A' ' 73' ' ' PHE . 26.3 t -93.13 147.62 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.9 t70 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.957 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.691 ' HB2' HG21 ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.2 m -142.53 126.82 17.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.388 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.938 HG22 ' HD2' ' A' ' 18' ' ' PRO . 79.1 t -129.37 139.71 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.11 132.35 52.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.828 ' CG ' HD11 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -79.01 52.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 110.967 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 162.71 -139.84 6.16 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.494 ' HB3' HG22 ' A' ' 15' ' ' VAL . 86.6 p -156.03 143.41 19.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.17 69.41 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -168.63 -68.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.002 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.85 47.8 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.06 131.53 19.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.0 HD23 HD22 ' A' ' 36' ' ' LEU . 1.7 pp -80.33 100.46 8.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.494 HG22 ' HB3' ' A' ' 9' ' ' SER . 33.8 m -142.85 168.73 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.568 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 29.9 m-85 -118.92 102.19 8.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.491 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.1 tt0 -129.53 135.88 28.23 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.938 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.4 Cg_endo -74.97 133.77 32.89 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.017 0.043 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.426 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 59.5 p -54.62 -23.18 15.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.962 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.9 m -142.57 129.31 20.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.43 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.84 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -129.46 144.31 38.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.3 m -128.37 119.49 25.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.385 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.71 HD11 ' CB ' ' A' ' 73' ' ' PHE . 1.1 pp -131.35 -179.35 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.593 ' O ' HD12 ' A' ' 23' ' ' ILE . 49.4 mttt -74.56 176.66 6.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.72 92.58 5.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.92 -16.36 2.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.458 1.099 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.453 ' HB3' HD13 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -78.48 172.26 13.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 110.27 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.61 175.97 5.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.555 HG22 ' HB3' ' A' ' 3' ' ' ALA . 88.7 t -142.11 136.95 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -112.42 145.24 40.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 8.8 m-90 -110.27 175.18 5.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 108.006 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.1 t -143.41 145.42 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.539 ' OD1' ' HB1' ' A' ' 62' ' ' ALA . 0.5 OUTLIER -78.96 145.34 34.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -137.64 -163.04 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -87.39 -179.88 6.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.238 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.0 HD22 HD23 ' A' ' 14' ' ' LEU . 1.2 mp 68.41 32.87 4.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.557 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -74.89 163.11 70.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.011 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.571 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.4 Cg_endo -74.97 163.37 90.86 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.033 -0.027 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 7' ' ' MET . 1.3 m-70 -130.12 99.81 5.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.578 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 60' ' ' GLY . 7.1 m-20 -83.02 168.11 17.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.828 HD11 ' CG ' ' A' ' 7' ' ' MET . 44.2 mt -145.09 99.93 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.36 120.2 64.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.583 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -90.87 95.75 10.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.881 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -74.73 119.82 19.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.4 95.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.8 OUTLIER -121.26 73.86 1.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.369 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.76 -24.95 13.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.683 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -103.5 -179.69 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.516 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -74.78 170.97 14.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -82.84 -69.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.701 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 4.2 m-20 -43.1 -39.84 2.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.612 HG22 ' HE2' ' A' ' 79' ' ' TYR . 1.5 m -61.49 -61.21 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.412 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.447 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -63.37 -13.54 40.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -65.21 -63.14 1.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -59.09 -27.88 65.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.784 HD11 ' O ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -78.38 -29.47 47.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 53' ' ' ALA . 82.4 p -74.61 155.08 38.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.995 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -132.23 100.15 4.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.621 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -86.23 49.36 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.858 ' C ' HD23 ' A' ' 61' ' ' LEU . . . -118.47 -143.04 7.14 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.858 HD23 ' C ' ' A' ' 60' ' ' GLY . 0.0 OUTLIER -159.78 -176.22 5.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 0.724 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.539 ' HB1' ' OD1' ' A' ' 33' ' ' ASN . . . -144.91 125.33 13.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 13.1 m-85 -133.32 -43.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.48 131.97 34.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.13 97.13 8.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.57 -25.23 0.44 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -75.79 140.74 42.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 110.321 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.5 m -135.9 164.86 26.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.165 . . . . 0.0 109.988 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -119.78 172.98 7.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.4 m -136.88 150.55 48.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 110.397 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.0 t -145.07 137.67 26.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.969 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.784 ' O ' HD11 ' A' ' 56' ' ' LEU . 15.3 m -93.61 123.01 36.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 110.364 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.71 ' CB ' HD11 ' A' ' 23' ' ' ILE . 4.1 m-30 -103.2 43.75 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.1 m -66.16 -69.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.379 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.5 124.4 75.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.326 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 112.75 3.63 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -166.1 -153.83 7.92 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.47 1.107 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 t -134.6 109.85 8.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 110.393 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.683 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 81.9 m-85 -101.88 133.33 46.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.3 m -118.58 110.9 17.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.427 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.911 ' OH ' HG11 ' A' ' 5' ' ' VAL . 36.3 p90 -110.65 129.79 55.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.881 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -127.09 178.55 5.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 87' ' ' ARG . 0.1 OUTLIER -80.94 126.16 31.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 108.274 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.514 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -61.71 -50.5 81.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.1 Cg_endo -75.01 -16.96 19.91 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.477 1.777 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.99 45.48 2.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.586 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.2 OUTLIER -76.24 -0.43 22.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.255 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -151.0 59.08 0.43 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.53 -50.34 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 146.97 46.28 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.568 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -143.58 99.27 3.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 111.014 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.518 HG22 ' N ' ' A' ' 93' ' ' GLY . 3.0 p -145.95 167.32 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.518 ' N ' HG22 ' A' ' 92' ' ' VAL . . . -141.74 158.1 26.52 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.85 144.07 50.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.744 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.556 HG13 ' CE2' ' A' ' 73' ' ' PHE . 24.5 t -125.08 150.57 30.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.5 t -144.77 116.12 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.625 HG11 ' O ' ' A' ' 73' ' ' PHE . 35.3 t -105.2 142.87 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.966 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.6 m -75.49 128.2 34.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.678 HG13 ' HD2' ' A' ' 18' ' ' PRO . 34.3 t -145.11 101.37 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -82.02 127.01 32.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.547 1.155 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.419 ' HB2' ' CE1' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -94.96 37.1 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 177.8 136.85 2.6 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.7 p -77.06 134.14 38.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 110.016 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.416 ' OD1' ' ND2' ' A' ' 34' ' ' ASN . 16.0 m-20 -74.8 64.04 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.14 -72.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.022 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.08 38.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.43 1.081 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.07 157.74 44.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 0.782 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.817 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -104.61 100.55 10.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.24 -179.895 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.0 m -139.88 132.15 34.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.58 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 31.3 m-85 -83.47 118.62 23.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 111.088 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.7 tt0 -138.12 134.02 17.64 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.288 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.931 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.0 132.31 27.14 Favored 'Cis proline' 0 C--N 1.361 1.209 0 C-N-CA 121.06 -2.475 . . . . 0.0 110.971 0.059 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.451 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 15.8 t -44.3 -37.4 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.013 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -131.55 109.83 10.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.354 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.931 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -105.65 131.86 54.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.711 HG23 HG12 ' A' ' 96' ' ' VAL . 24.7 m -122.33 102.86 8.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.602 1.189 . . . . 0.0 110.359 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.905 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.3 pt -116.33 -179.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.257 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.54 172.93 12.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.24 126.66 36.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.16 -4.61 41.29 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.468 1.105 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.482 ' HB3' HD12 ' A' ' 23' ' ' ILE . 2.0 tt0 -88.9 -179.79 6.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.88 151.65 48.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.966 HG22 ' HB3' ' A' ' 3' ' ' ALA . 5.6 t -122.32 119.36 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.71 147.36 26.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.623 ' CG ' HD13 ' A' ' 41' ' ' ILE . 3.0 m-90 -123.33 122.68 38.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.1 t -87.03 134.92 26.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.439 1.087 . . . . 0.0 109.359 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -77.74 116.66 18.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.358 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.416 ' ND2' ' OD1' ' A' ' 10' ' ' ASP . 1.7 t-20 -103.24 -167.19 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -76.15 175.36 9.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.247 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.817 HD13 ' HB3' ' A' ' 14' ' ' LEU . 0.3 OUTLIER 77.9 69.82 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.525 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -114.67 161.89 26.46 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 110.034 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.525 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.05 140.51 67.69 Favored 'Cis proline' 0 C--N 1.359 1.116 0 C-N-CA 120.932 -2.528 . . . . 0.0 111.004 0.02 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.669 ' H ' ' HB3' ' A' ' 62' ' ' ALA . 0.6 OUTLIER -140.45 100.07 3.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.645 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -94.62 173.16 7.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.623 HD13 ' CG ' ' A' ' 31' ' ' TRP . 79.0 mt -117.86 107.41 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.212 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.484 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -108.41 132.94 54.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.243 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.716 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -91.74 92.14 8.28 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.539 1.149 . . . . 0.0 111.019 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -74.43 99.95 3.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.23 97.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -110.05 62.6 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.382 1.051 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 118.86 -22.15 9.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.447 1.092 . . . . 0.0 111.047 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.979 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 2.5 p -91.27 179.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.64 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -76.04 133.95 40.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.62 -50.65 73.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.242 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.38 -37.08 46.31 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.683 ' O ' HD12 ' A' ' 56' ' ' LEU . 92.9 m -72.53 -39.83 67.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.363 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.716 ' HB1' ' O ' ' A' ' 43' ' ' PHE . . . -70.18 -18.33 63.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.414 1.072 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.78 -35.3 38.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -78.41 -18.96 54.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.947 HD21 ' O ' ' A' ' 72' ' ' THR . 1.1 mp -104.98 -3.73 22.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.59 151.79 22.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 110.044 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' ILE . 26.6 m80 -140.63 99.93 3.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.599 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.484 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 2.3 mttt -97.29 43.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.483 ' C ' HD22 ' A' ' 61' ' ' LEU . . . -87.59 -171.13 46.89 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.441 1.088 . . . . 0.0 110.961 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.483 HD22 ' C ' ' A' ' 60' ' ' GLY . 3.5 mm? -120.3 114.67 22.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.669 ' HB3' ' H ' ' A' ' 39' ' ' HIS . . . -88.24 118.14 27.62 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -140.63 -47.46 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.19 114.57 24.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.08 93.93 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.36 -31.74 0.15 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.437 1.086 . . . . 0.0 110.986 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -75.09 127.3 32.9 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.446 0.733 . . . . 0.0 110.279 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.9 p -124.08 142.6 51.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.42 ' HB3' ' CD2' ' A' ' 58' ' ' HIS . 22.0 m-85 -96.25 170.74 9.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.39 124.72 13.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.444 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.859 ' CB ' HD23 ' A' ' 56' ' ' LEU . 1.3 m -113.82 133.24 55.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.973 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.947 ' O ' HD21 ' A' ' 56' ' ' LEU . 2.3 m -74.82 121.3 21.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.693 ' CE2' HG13 ' A' ' 95' ' ' VAL . 3.7 m-30 -104.03 64.68 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.688 HG23 HG22 ' A' ' 72' ' ' THR . 81.5 p -85.8 -68.92 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.442 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.17 118.85 23.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.217 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.4 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -75.05 101.19 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -162.6 -138.25 2.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.4 m -140.76 133.14 28.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 110.365 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.979 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 96.8 m-85 -124.79 104.53 8.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 111.03 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.43 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 5.3 m -77.86 101.02 6.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.556 ' CE1' HG23 ' A' ' 95' ' ' VAL . 29.3 p90 -111.22 138.77 47.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.65 ' HB3' HG13 ' A' ' 92' ' ' VAL . 0.7 OUTLIER -143.95 -179.79 6.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.412 1.07 . . . . 0.0 111.016 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.0 p -87.32 110.31 20.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 108.309 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.519 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 5.0 tt0 -43.58 -50.75 17.0 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.535 ' O ' ' CG ' ' A' ' 86' ' ' HIS . 18.1 Cg_endo -75.09 56.87 4.44 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.535 ' CG ' ' O ' ' A' ' 85' ' ' PRO . 1.2 m170 167.78 42.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.584 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -76.71 60.43 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 139.63 61.4 0.04 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -135.63 -47.01 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 0.762 . . . . 0.0 109.341 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 133.94 43.38 0.13 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.673 ' CB ' HD12 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -145.33 99.07 3.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 0.75 . . . . 0.0 110.979 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.65 HG13 ' HB3' ' A' ' 82' ' ' TYR . 31.6 t -146.21 161.01 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.23 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -125.8 169.76 17.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.2 109.83 7.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 0.771 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.693 HG13 ' CE2' ' A' ' 73' ' ' PHE . 8.9 t -86.0 148.81 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.711 HG12 HG23 ' A' ' 22' ' ' THR . 3.2 t -144.68 106.93 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.302 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.527 HG22 ' CD2' ' A' ' 73' ' ' PHE . 48.2 t -94.85 146.65 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.1 t0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 1.052 ' HB2' HG21 ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.3 m -120.27 131.84 55.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.44 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.599 HG11 ' OH ' ' A' ' 81' ' ' TYR . 91.8 t -143.79 119.39 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.44 149.05 23.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.547 ' O ' ' HE2' ' A' ' 91' ' ' MET . 3.5 mtm -76.21 -49.87 16.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -110.67 -130.74 5.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.3 p -141.65 149.1 40.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.592 0.819 . . . . 0.0 110.028 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -74.88 64.83 1.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.31 -64.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 110.068 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.87 49.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.99 123.56 12.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 109.337 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -80.15 102.32 9.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.259 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.8 m -142.78 132.15 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -82.44 102.02 11.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 111.056 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.507 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -145.08 136.45 12.64 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 110.273 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.589 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -75.02 132.78 28.72 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.971 -2.512 . . . . 0.0 111.052 0.029 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.45 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 63.2 p -59.86 -36.12 76.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -119.81 127.61 52.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.589 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.4 m -139.21 145.51 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 m -135.64 115.99 13.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 110.474 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 1.052 HG21 ' HB2' ' A' ' 3' ' ' ALA . 4.2 pt -119.5 -179.81 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -75.99 174.74 9.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.504 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -94.4 126.66 39.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.21 -18.94 30.25 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.509 1.13 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.49 ' HB3' HD12 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -79.96 179.0 7.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.407 0.71 . . . . 0.0 110.247 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 71' ' ' SER . 1.2 pm0 -126.26 169.47 12.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.321 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.011 HG22 ' HB3' ' A' ' 3' ' ' ALA . 13.2 t -123.35 140.89 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -109.29 149.38 29.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.366 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.535 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 2.6 m-90 -123.85 151.67 43.18 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.2 t -141.59 125.36 16.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -81.89 166.17 20.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -145.42 -80.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -138.2 177.41 7.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.231 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.573 HD22 ' N ' ' A' ' 36' ' ' LEU . 1.2 mm? 66.14 54.85 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.535 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -90.62 162.57 33.37 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.007 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.571 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.5 Cg_endo -75.02 163.03 91.66 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.05 -0.029 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -140.22 108.37 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.103 . . . . 0.0 109.669 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.62 -179.47 3.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.466 1.104 . . . . 0.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 58' ' ' HIS . 1.3 mp -130.93 105.82 11.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.425 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -112.77 114.81 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 109.31 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.652 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -95.84 99.12 10.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.891 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -74.66 113.27 11.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.214 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.0 96.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -126.95 78.79 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.63 -24.85 11.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.48 1.113 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.891 HG11 ' CE2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -104.09 -179.59 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.522 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -74.91 171.1 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.44 -69.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.651 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 1.5 m-20 -44.99 -42.35 8.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.518 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 2.8 m -58.73 -48.91 79.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 110.38 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -72.85 -14.81 61.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -66.16 -46.32 77.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.96 -37.17 70.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.416 1.073 . . . . 0.0 109.308 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.459 HD22 ' CE2' ' A' ' 79' ' ' TYR . 6.1 mp -74.73 -22.69 58.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -74.38 145.8 43.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.034 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' ILE . 6.0 m-70 -131.6 99.96 4.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.547 1.154 . . . . 0.0 109.576 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.425 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -105.75 50.87 0.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 109.356 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 61' ' ' LEU . . . -133.97 78.61 0.35 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.941 HD13 ' CE1' ' A' ' 63' ' ' PHE . 1.1 pp -40.31 159.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 0.742 . . . . 0.0 109.253 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -123.83 131.9 53.67 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.125 . . . . 0.0 109.232 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.941 ' CE1' HD13 ' A' ' 61' ' ' LEU . 8.2 m-85 -126.38 32.11 5.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 110.961 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.78 134.97 27.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.26 73.36 3.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.22 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.45 44.02 0.02 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.509 1.131 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -121.2 132.39 54.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.4 m -138.03 122.12 17.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 0.0 109.977 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -93.48 167.1 11.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.1 m -132.61 154.7 49.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 110.397 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 22.4 p -145.13 131.49 19.63 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 1.146 . . . . 0.0 110.023 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.443 ' O ' HD11 ' A' ' 56' ' ' LEU . 6.3 m -84.79 106.69 16.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 110.359 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.671 ' CE2' HG21 ' A' ' 29' ' ' VAL . 4.2 m-30 -91.91 60.0 3.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -78.97 -64.72 1.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.381 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.91 119.08 55.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.429 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.4 Cg_endo -75.01 107.26 2.44 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.451 1.764 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.7 -152.96 6.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.6 m -132.2 95.8 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 110.411 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.891 ' CE2' HG11 ' A' ' 48' ' ' VAL . 96.8 m-85 -93.93 138.87 31.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.1 m -121.27 111.02 16.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.099 . . . . 0.0 110.383 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.599 ' OH ' HG11 ' A' ' 5' ' ' VAL . 38.3 p90 -109.78 139.91 44.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.891 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -141.14 -179.29 6.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.411 1.069 . . . . 0.0 111.072 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.52 ' HG ' ' CE1' ' A' ' 86' ' ' HIS . 0.5 OUTLIER -85.88 125.91 33.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 108.262 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.541 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -62.47 -48.77 86.03 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -74.99 -18.66 18.56 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.501 1.79 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.52 ' CE1' ' HG ' ' A' ' 83' ' ' CYS . 0.2 OUTLIER -127.74 45.21 2.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.627 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.9 OUTLIER -77.99 -29.76 49.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -117.83 47.03 1.07 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.411 1.069 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.68 -50.5 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 148.01 45.44 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.547 ' HE2' ' O ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -136.51 98.44 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 0.735 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.537 HG22 ' N ' ' A' ' 93' ' ' GLY . 3.0 p -146.66 167.99 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.537 ' N ' HG22 ' A' ' 92' ' ' VAL . . . -152.44 149.9 21.63 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.582 1.177 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.98 150.4 29.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.652 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 12.9 t -134.01 145.96 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.6 t -142.76 104.84 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.435 1.084 . . . . 0.0 109.336 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.612 HG22 ' CD2' ' A' ' 73' ' ' PHE . 63.8 t -84.88 144.46 9.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.379 1.049 . . . . 0.0 109.268 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.504 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.65 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.4 m -136.08 123.81 22.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 110.384 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.689 HG22 ' HD2' ' A' ' 18' ' ' PRO . 63.9 t -107.88 133.67 52.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.15 115.22 27.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.91 99.59 6.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.17 102.81 2.6 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 m -43.5 148.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 110.032 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -74.39 60.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.05 -70.79 0.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.66 42.0 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.581 1.175 . . . . 0.0 111.005 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.17 121.45 10.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 0.777 . . . . 0.0 109.236 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.619 HD12 ' HG3' ' A' ' 91' ' ' MET . 1.5 pp -77.38 99.59 5.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.6 m -141.3 135.0 31.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.607 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 13.7 m-85 -78.0 108.43 11.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.495 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -136.84 134.88 19.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.824 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.01 133.34 30.98 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.018 -0.053 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.433 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 60.3 p -49.13 -36.12 18.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 m -129.68 114.07 15.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.384 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.824 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -111.75 129.45 67.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.4 m -125.38 103.03 7.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.122 . . . . 0.0 110.403 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.971 HD11 ' CD2' ' A' ' 73' ' ' PHE . 2.3 pt -107.87 -179.87 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -80.69 177.65 8.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.3 93.62 8.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.31 -10.65 3.82 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -75.22 178.65 5.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 0.744 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.95 172.1 8.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.6 HG12 ' CZ3' ' A' ' 31' ' ' TRP . 30.6 t -141.72 121.75 11.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -107.68 144.44 34.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.721 ' CD1' HD13 ' A' ' 41' ' ' ILE . 10.6 m-90 -111.7 148.71 32.86 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.4 t -135.76 124.04 37.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -78.17 143.79 36.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -126.3 -86.68 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.405 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -141.78 -179.34 6.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.591 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 3.0 mm? 67.86 44.85 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.172 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.599 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -85.29 164.8 39.38 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.599 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.98 160.92 95.84 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.99 -0.041 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 3.8 m-70 -136.84 100.03 4.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.567 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 60' ' ' GLY . 3.4 m-20 -95.3 170.07 9.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.408 1.068 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.721 HD13 ' CD1' ' A' ' 31' ' ' TRP . 13.2 mt -138.67 99.82 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.574 1.171 . . . . 0.0 109.227 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -114.18 117.31 55.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.588 1.18 . . . . 0.0 109.344 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.59 ' CD1' ' HB3' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -89.72 102.83 15.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.879 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -80.88 120.21 24.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.95 95.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' ALA . 4.4 t70 -122.68 72.83 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.6 -29.26 7.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.113 . . . . 0.0 111.064 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.666 HG11 ' CE1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -99.83 -179.72 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.537 0.786 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.517 ' O ' HG13 ' A' ' 48' ' ' VAL . 6.6 m-20 -75.0 167.59 21.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -75.79 -67.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 82.8 m-20 -45.45 -43.74 11.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.592 HG22 ' HE1' ' A' ' 79' ' ' TYR . 4.2 m -58.27 -38.71 77.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -86.08 -14.52 44.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -69.4 -36.71 77.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.7 -40.22 20.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.742 HD11 ' O ' ' A' ' 72' ' ' THR . 1.5 mp -68.74 -26.72 65.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 18.0 m -75.54 155.85 35.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 72.0 m-70 -131.92 100.7 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.645 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -98.84 44.75 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.415 ' O ' ' ND2' ' A' ' 40' ' ' ASN . . . -100.23 -148.71 22.83 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.64 159.27 37.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 0.796 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.601 ' O ' ' CD1' ' A' ' 63' ' ' PHE . . . -135.78 151.77 50.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.396 1.06 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 62' ' ' ALA . 0.3 OUTLIER 162.05 -50.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 111.048 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.62 105.5 6.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.628 1.205 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.67 135.27 56.71 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 109.244 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 120.53 -21.56 8.55 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.576 1.172 . . . . 0.0 111.058 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -77.93 131.92 37.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 0.807 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 12.5 p -136.24 134.14 37.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.122 . . . . 0.0 109.987 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.564 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 17.4 m-85 -95.36 172.64 7.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.1 m -133.21 152.71 51.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.436 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.51 ' OG ' HD23 ' A' ' 56' ' ' LEU . 25.7 t -139.88 141.87 36.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.943 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.996 HG22 HG23 ' A' ' 74' ' ' THR . 85.1 m -95.28 132.72 39.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 1.088 ' CD2' HG22 ' A' ' 97' ' ' VAL . 5.1 m-85 -123.51 35.16 4.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.996 HG23 HG22 ' A' ' 72' ' ' THR . 70.9 p -60.71 -71.08 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.417 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 38.4 tt0 -72.17 137.78 81.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.431 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.99 114.8 4.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.453 1.765 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.59 ' HA3' HG23 ' A' ' 48' ' ' VAL . . . -150.98 -165.82 13.17 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.477 1.111 . . . . 0.0 110.913 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.2 m -128.72 102.49 6.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.599 0.823 . . . . 0.0 110.38 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.666 ' CE1' HG11 ' A' ' 48' ' ' VAL . 82.3 m-85 -101.89 132.49 47.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.062 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.8 m -122.31 107.86 12.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.403 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.59 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 34.1 p90 -107.91 143.55 36.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.879 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -143.69 174.95 10.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.454 ' SG ' ' ND1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER -78.67 121.66 24.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 108.258 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.485 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -47.66 -52.09 40.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -74.95 -49.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.462 1.769 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.529 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . 0.1 OUTLIER -92.94 47.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.598 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 83' ' ' CYS . 2.7 ttt180 -59.77 -45.28 92.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -116.26 55.27 0.55 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.529 ' HB3' ' HB3' ' A' ' 86' ' ' HIS . . . -130.59 58.81 1.67 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.468 0.746 . . . . 0.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 41.93 34.16 1.31 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.431 1.082 . . . . 0.0 110.962 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.619 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -133.02 99.42 4.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 111.033 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.4 t -146.07 158.67 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -137.85 119.77 1.9 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.597 1.186 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.45 130.88 44.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.732 HG22 HG22 ' A' ' 21' ' ' VAL . 1.0 OUTLIER -117.01 145.4 22.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.7 t -143.73 119.14 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 1.088 HG22 ' CD2' ' A' ' 73' ' ' PHE . 45.9 t -95.47 143.28 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.931 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.7 m -126.67 121.98 33.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.0 110.38 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.645 HG22 ' HD2' ' A' ' 18' ' ' PRO . 87.6 t -128.2 144.26 38.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.9 132.74 55.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.585 1.178 . . . . 0.0 109.246 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.5 mtm -84.17 50.82 1.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 111.049 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.24 146.04 4.59 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.6 p -76.58 146.16 38.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 0.734 . . . . 0.0 110.023 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -74.49 62.35 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.7 t -157.56 -69.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.8 41.33 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.85 116.0 10.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 109.331 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.444 HD12 ' SD ' ' A' ' 91' ' ' MET . 0.9 OUTLIER -74.67 99.88 3.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.1 m -142.05 131.23 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.451 ' CD2' ' HE2' ' A' ' 91' ' ' MET . 6.4 m-85 -80.89 105.31 12.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.516 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 19.4 tt0 -140.49 134.49 15.29 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.713 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.03 132.9 29.11 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.97 -2.512 . . . . 0.0 110.965 0.075 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.429 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 9.3 p -57.45 -35.42 70.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.172 . . . . 0.0 109.998 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.0 m -124.38 123.78 40.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.713 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.3 m -127.64 140.79 48.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.8 m -128.84 111.07 12.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.464 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.931 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 1.3 pp -119.18 -179.37 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.731 ' O ' HD12 ' A' ' 23' ' ' ILE . 3.2 mtmm -74.81 177.04 6.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.41 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . . . -97.7 89.04 4.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.242 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.34 -15.24 2.08 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.745 ' HB3' HD13 ' A' ' 23' ' ' ILE . 2.8 tp10 -74.89 172.8 11.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 110.343 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -115.89 165.72 12.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.236 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.804 HG22 ' HB3' ' A' ' 3' ' ' ALA . 77.9 t -135.89 135.14 50.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -113.36 145.64 40.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.566 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 16.5 m-90 -121.19 117.48 27.21 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.81 143.33 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.11 155.82 36.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -149.57 -175.3 4.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.224 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -74.71 -177.98 3.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 35' ' ' LYS . 4.3 mm? 68.61 40.07 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.649 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -75.04 167.52 36.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.649 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.0 164.0 89.41 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.97 -0.001 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -133.96 100.5 4.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.649 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.439 HD21 HD22 ' A' ' 61' ' ' LEU . 5.5 m-20 -100.98 178.11 4.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.369 1.043 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 29.8 mt -139.52 99.91 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -117.26 112.42 38.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -87.51 105.86 17.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.899 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -81.26 104.89 12.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.31 97.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' ALA . 4.6 t0 -125.13 79.51 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.359 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.09 -31.6 6.64 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.721 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -96.33 -179.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 0.782 . . . . 0.0 109.323 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.53 ' H ' HG22 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -74.58 172.39 12.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -84.71 -67.61 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.66 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 30.3 m-20 -45.56 -41.23 9.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.513 HG22 ' HE2' ' A' ' 79' ' ' TYR . 1.6 m -62.16 -51.89 66.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.438 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -71.47 -12.68 61.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.175 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -63.99 -68.15 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.576 1.172 . . . . 0.0 109.389 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -54.49 -38.59 66.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.713 HD11 ' O ' ' A' ' 72' ' ' THR . 0.6 OUTLIER -66.97 -34.2 77.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.162 . . . . 0.0 109.275 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.5 p -80.44 126.23 30.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.563 ' ND1' ' CD1' ' A' ' 69' ' ' PHE . 36.5 m-70 -94.33 179.61 5.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.592 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.87 -44.72 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.363 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -40.72 105.5 0.05 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.413 1.071 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 4.4 mm? -46.7 154.52 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.768 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.73 115.99 10.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 61' ' ' LEU . 10.1 m-85 -127.38 41.21 3.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -133.22 143.03 48.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.78 65.66 5.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 109.344 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 162.71 41.77 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -136.35 105.21 5.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 110.296 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 95.0 p -103.43 156.92 17.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.003 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.563 ' CD1' ' ND1' ' A' ' 58' ' ' HIS . 16.7 m-85 -107.49 177.93 4.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.7 m -141.15 148.08 39.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.162 . . . . 0.0 110.433 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.463 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 6.0 t -144.33 136.71 26.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.942 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.713 ' O ' HD11 ' A' ' 56' ' ' LEU . 59.6 m -91.21 125.0 35.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.452 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.688 ' CB ' HD11 ' A' ' 23' ' ' ILE . 3.6 m-30 -105.89 47.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 111.071 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.46 -50.03 29.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.68 122.27 85.5 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.441 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.99 114.7 4.09 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.499 1.789 . . . . 0.0 110.943 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -162.62 -144.69 4.09 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 110.947 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.441 ' CG2' ' HE2' ' A' ' 94' ' ' LYS . 6.2 m -145.61 93.8 2.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 0.742 . . . . 0.0 110.378 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.721 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 77.0 m-85 -89.61 133.23 34.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 m -115.56 112.64 22.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.412 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.607 ' OH ' HG11 ' A' ' 5' ' ' VAL . 34.5 p90 -112.83 140.55 47.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.899 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -141.17 -179.77 6.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 84' ' ' GLU . 1.5 t -86.26 120.14 27.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 108.313 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.462 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.4 OUTLIER -38.92 -53.74 3.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.265 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.0 Cg_endo -75.07 -46.69 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.423 1.749 . . . . 0.0 110.927 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.53 59.04 1.78 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.625 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.459 ' HG3' ' CG ' ' A' ' 82' ' ' TYR . 20.6 ttp180 -85.46 -62.05 1.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.587 1.18 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.62 55.17 0.83 Allowed Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.588 1.18 . . . . 0.0 110.934 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -125.57 -45.1 1.8 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 0.781 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 163.42 -28.78 0.24 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.528 1.142 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.451 ' HE2' ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -76.94 99.35 5.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 0.732 . . . . 0.0 111.024 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.521 HG12 ' N ' ' A' ' 93' ' ' GLY . 30.2 t -145.86 169.09 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.521 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -142.76 165.46 26.85 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.441 ' HE2' ' CG2' ' A' ' 78' ' ' THR . 0.0 OUTLIER -144.4 112.03 6.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.304 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.669 HG21 ' HZ ' ' A' ' 73' ' ' PHE . 1.6 t -91.14 154.95 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 38.1 t -144.9 108.64 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.658 HG22 ' CD2' ' A' ' 73' ' ' PHE . 41.9 t -97.19 137.87 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.26 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.921 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.1 m -143.87 115.95 8.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.425 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.59 HG11 ' OH ' ' A' ' 81' ' ' TYR . 54.5 t -108.52 150.81 10.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.48 130.79 56.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.49 ' O ' ' CE ' ' A' ' 91' ' ' MET . 8.9 mtm -57.89 -52.72 64.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.15 148.17 18.57 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.106 . . . . 0.0 111.046 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.3 p -71.92 152.4 42.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.38 62.38 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.43 -58.45 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.02 45.0 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.428 1.08 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.97 125.31 13.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 0.745 . . . . 0.0 109.265 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.744 HD23 ' HG ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -76.47 101.12 5.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.1 m -144.27 132.25 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.594 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 34.4 m-85 -81.62 101.79 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.052 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.492 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -135.55 132.08 19.6 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.588 1.18 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.776 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.6 Cg_endo -75.0 131.57 24.66 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.025 -0.006 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.438 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 11.1 p -52.73 -36.56 57.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.964 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.1 m -126.36 121.84 33.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.416 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.776 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -123.89 140.04 48.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.5 m -122.63 109.84 14.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.386 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.921 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 1.4 pt -118.15 -179.58 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -78.31 178.04 7.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.915 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -99.28 120.9 40.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.96 -19.7 15.24 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.539 1.15 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.21 179.63 5.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.264 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.46 172.2 10.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.684 HG22 ' HB3' ' A' ' 3' ' ' ALA . 2.9 t -134.25 147.91 30.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -121.68 138.85 54.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.569 ' CZ3' ' HB2' ' A' ' 71' ' ' SER . 3.5 m-90 -108.7 151.8 25.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 108.023 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.414 ' C ' ' HE1' ' A' ' 7' ' ' MET . 74.6 t -135.31 139.33 47.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.414 ' N ' ' HE1' ' A' ' 7' ' ' MET . 39.9 t30 -96.62 140.06 31.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.231 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -123.77 -70.72 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -143.6 179.88 6.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.351 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.744 ' HG ' HD23 ' A' ' 14' ' ' LEU . 3.9 mm? 64.34 55.55 1.41 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.504 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -98.19 161.34 25.76 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.504 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.09 163.29 91.01 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.973 0.104 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.523 ' CD2' ' SG ' ' A' ' 83' ' ' CYS . 0.1 OUTLIER -134.96 112.88 10.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.634 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.63 158.46 18.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 58' ' ' HIS . 1.8 mp -122.62 111.68 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -114.23 122.13 67.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.593 ' CE2' ' CG ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -82.51 93.13 7.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 80' ' ' THR . . . -75.29 107.01 7.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.252 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.39 98.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -118.51 60.91 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.94 -13.45 8.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.418 1.074 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.05 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -103.47 -179.71 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.267 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.525 ' H ' HG22 ' A' ' 48' ' ' VAL . 2.5 m-20 -76.16 165.34 25.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 51' ' ' ASP . . . -77.47 -69.35 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.875 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 10.1 m-20 -40.09 -48.13 2.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.574 HG21 ' OH ' ' A' ' 79' ' ' TYR . 98.8 m -49.0 -69.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.356 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.576 ' HB1' ' HB3' ' A' ' 43' ' ' PHE . . . -52.06 -21.47 3.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.875 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -66.34 -29.92 70.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.18 -28.91 20.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.002 HD21 ' O ' ' A' ' 72' ' ' THR . 2.6 mp -92.88 0.79 57.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.5 m -89.38 143.4 26.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.075 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 41' ' ' ILE . 41.8 m-70 -132.65 99.06 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 109.612 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -97.05 29.81 2.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.69 ' C ' HD12 ' A' ' 61' ' ' LEU . . . -86.66 -148.72 12.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.69 HD12 ' C ' ' A' ' 60' ' ' GLY . 5.7 mp -152.57 154.01 34.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 0.734 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -137.25 131.78 32.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.478 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 2.8 m-85 -129.17 -42.18 1.38 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.399 1.062 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.68 153.59 19.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.04 42.65 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.349 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -130.15 -40.44 0.26 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.458 1.098 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -74.36 126.63 31.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.751 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 3.6 m -134.1 142.19 47.43 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.14 . . . . 0.0 110.036 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -96.46 173.58 7.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 3.3 m -140.17 153.98 46.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.349 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.97 ' OG ' HD23 ' A' ' 56' ' ' LEU . 5.3 t -133.36 154.08 51.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.013 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . 1.002 ' O ' HD21 ' A' ' 56' ' ' LEU . 53.2 m -106.33 102.61 12.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.406 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.604 ' CB ' HD11 ' A' ' 23' ' ' ILE . 4.7 m-30 -94.27 69.04 3.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.966 HG23 HG22 ' A' ' 72' ' ' THR . 40.7 p -88.44 -67.87 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.4 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.33 123.13 77.3 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 101.2 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.456 1.766 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.8 -138.53 2.62 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.2 m -143.27 129.89 20.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 110.401 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 1.05 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 96.7 m-85 -126.12 98.05 5.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.584 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 87.3 m -77.82 100.94 6.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.434 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.59 ' OH ' HG11 ' A' ' 5' ' ' VAL . 25.7 p90 -109.03 129.23 55.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.536 ' CZ ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -128.94 -179.87 5.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 1.021 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 1.7 m -77.46 126.13 30.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 108.312 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.502 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -52.75 -51.93 69.25 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -74.98 -50.91 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.579 1.831 . . . . 0.0 111.01 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -85.84 48.82 1.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.636 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.92 5.05 38.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 110.258 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -153.62 51.49 0.48 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.568 1.168 . . . . 0.0 111.006 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.18 -47.03 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.753 . . . . 0.0 109.231 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 146.4 45.11 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.123 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' MET . . . . . 1.021 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER -138.02 99.02 3.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.784 . . . . 0.0 110.989 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.512 HG22 ' N ' ' A' ' 93' ' ' GLY . 2.4 p -146.07 166.17 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.512 ' N ' HG22 ' A' ' 92' ' ' VAL . . . -139.8 154.05 23.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.14 104.93 8.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 0.776 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.53 ' CG1' ' CE2' ' A' ' 73' ' ' PHE . 55.4 t -85.0 145.11 8.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.3 t -139.35 101.57 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.425 1.078 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.421 HG22 ' CD2' ' A' ' 73' ' ' PHE . 91.8 t -93.87 141.47 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.247 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.915 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 30.2 m-20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 1.047 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 90.6 m -112.21 133.74 54.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 110.409 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.409 HG22 ' HD2' ' A' ' 18' ' ' PRO . 10.2 t -144.68 99.65 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.224 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -83.33 146.65 28.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -72.64 -165.48 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 111.042 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.457 ' HA3' ' CD1' ' A' ' 36' ' ' LEU . . . -34.72 131.61 0.53 Allowed Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.1 p -47.93 144.07 3.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.421 0.718 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -76.95 57.27 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.45 -71.62 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.003 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.29 38.34 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.562 1.164 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.99 114.77 7.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 0.748 . . . . 0.0 109.347 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.633 ' CD2' HD22 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -83.59 99.17 10.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.2 m -145.35 141.97 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.363 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.565 ' CE2' ' HG2' ' A' ' 91' ' ' MET . 72.1 m-85 -88.77 126.94 35.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 111.059 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.49 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 26.3 tt0 -141.06 131.27 13.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.885 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.6 Cg_endo -74.86 132.99 29.35 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.067 -0.153 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.425 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 39.3 t -42.51 -35.91 1.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.946 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.2 m -136.73 128.34 28.72 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.885 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -124.92 143.57 38.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.7 m -122.49 108.03 12.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.416 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.951 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.3 pt -116.99 -179.72 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.58 ' O ' HG13 ' A' ' 97' ' ' VAL . 3.7 mtmt -77.42 177.36 8.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.439 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . . . -100.65 98.57 9.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.65 -22.58 2.68 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.6 179.73 5.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 0.801 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.12 176.24 6.51 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.047 HG22 ' HB3' ' A' ' 3' ' ' ALA . 3.1 t -130.54 157.25 42.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.49 141.73 51.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.493 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 9.3 m-90 -111.96 159.36 18.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 107.973 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.9 t -139.22 111.98 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.578 1.174 . . . . 0.0 109.259 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -77.65 140.22 39.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -126.95 -87.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.3 mmtm -135.56 -179.18 5.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 109.35 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.633 HD22 ' CD2' ' A' ' 14' ' ' LEU . 0.6 OUTLIER 75.29 69.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.558 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -121.61 163.25 31.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.974 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.558 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.99 139.88 64.24 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.962 -2.516 . . . . 0.0 111.019 -0.022 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.563 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 1.6 m-70 -140.12 102.96 4.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.635 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.3 -179.96 4.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.883 HG21 ' NE2' ' A' ' 58' ' ' HIS . 5.0 mt -121.04 115.4 46.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -124.36 125.4 70.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.613 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 0.2 OUTLIER -96.54 101.51 13.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.951 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.954 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -78.9 107.36 11.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.86 96.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.4 m-20 -120.55 75.58 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.36 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.43 -27.09 9.67 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.9 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 1.0 OUTLIER -100.01 175.67 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 109.347 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.486 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -76.42 147.52 37.91 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.465 1.103 . . . . 0.0 109.229 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -64.0 -51.76 62.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.354 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.741 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -45.29 -55.21 6.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.569 HG21 ' OH ' ' A' ' 79' ' ' TYR . 17.8 m -58.99 -53.97 52.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.435 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.39 -21.05 33.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -67.49 -70.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -58.02 -29.99 65.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.37 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.73 HD13 ' OG ' ' A' ' 71' ' ' SER . 0.7 OUTLIER -68.59 -31.65 70.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.355 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.4 p -74.54 147.84 41.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.06 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.883 ' NE2' HG21 ' A' ' 41' ' ' ILE . 5.6 p80 -145.15 99.89 3.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.642 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 60' ' ' GLY . 11.0 mttt -70.06 -82.29 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.367 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.425 ' HA3' ' CZ ' ' A' ' 69' ' ' PHE . . . 47.94 98.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.522 HD12 ' CZ ' ' A' ' 63' ' ' PHE . 4.2 mm? -47.18 142.54 3.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 0.806 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -109.26 106.67 16.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.522 ' CZ ' HD12 ' A' ' 61' ' ' LEU . 21.7 m-85 -131.52 -44.94 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 111.055 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.79 146.87 24.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.075 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.44 128.3 34.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.19 15.21 10.0 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.58 103.72 15.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 0.791 . . . . 0.0 110.251 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 67.2 m -106.22 135.26 48.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.425 ' CZ ' ' HA3' ' A' ' 60' ' ' GLY . 17.9 m-85 -109.44 175.89 5.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 110.97 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 2.5 m -144.88 157.57 44.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.73 ' OG ' HD13 ' A' ' 56' ' ' LEU . 34.4 t -144.99 155.0 43.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.975 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.705 ' O ' HD11 ' A' ' 56' ' ' LEU . 2.5 m -105.91 109.95 22.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.914 ' CE2' HG21 ' A' ' 29' ' ' VAL . 6.8 m-30 -95.95 46.55 1.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.4 m -68.48 -64.67 0.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -61.2 123.21 74.83 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 125.45 9.32 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.527 1.804 . . . . 0.0 111.072 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 179.14 -142.73 5.44 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.2 m -144.02 108.64 4.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 0.797 . . . . 0.0 110.378 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.9 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 85.8 m-85 -105.61 135.2 47.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.1 m -110.66 115.58 29.84 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.565 1.166 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.609 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 33.9 p90 -114.94 137.49 51.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.954 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -145.51 -179.75 6.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.525 ' SG ' ' CE1' ' A' ' 39' ' ' HIS . 1.0 OUTLIER -95.69 116.38 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 108.366 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.477 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -37.08 -56.46 1.48 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.563 ' O ' ' CG ' ' A' ' 86' ' ' HIS . 18.1 Cg_endo -75.04 52.68 3.14 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.605 1.845 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.563 ' CG ' ' O ' ' A' ' 85' ' ' PRO . 1.4 m80 165.63 42.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 0.0 109.585 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.478 ' O ' ' CG ' ' A' ' 87' ' ' ARG . 19.0 ptt180 -90.69 121.1 32.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.43 28.44 55.52 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -106.3 -36.55 6.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.392 0.701 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 151.04 -36.61 0.88 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.565 ' HG2' ' CE2' ' A' ' 16' ' ' PHE . 0.8 OUTLIER -77.6 98.66 5.48 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.524 0.779 . . . . 0.0 110.991 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.547 HG12 ' N ' ' A' ' 93' ' ' GLY . 52.6 t -146.79 169.52 4.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.547 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -127.32 167.51 19.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.1 117.06 9.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 0.722 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.613 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 37.9 t -96.72 146.38 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.2 t -141.2 104.18 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.739 HG11 ' O ' ' A' ' 73' ' ' PHE . 15.8 t -107.63 140.59 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.1 t0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 1.016 ' HB2' HG21 ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.5 m -90.93 141.15 29.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.394 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.3 t -145.35 128.7 11.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.599 1.187 . . . . 0.0 109.225 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.93 143.17 49.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.413 1.07 . . . . 0.0 109.239 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.7 mtm -94.58 -90.5 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.441 ' O ' ' ND2' ' A' ' 34' ' ' ASN . . . -59.15 98.19 0.1 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 m -47.64 160.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 0.784 . . . . 0.0 109.994 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.95 66.38 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.11 -61.22 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.2 44.58 0.04 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.55 1.156 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.15 130.22 18.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.388 0.699 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.845 ' HB3' HD22 ' A' ' 36' ' ' LEU . 1.9 pt? -75.23 111.28 10.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.3 m -143.52 -179.95 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 43.6 m-85 -128.29 111.53 13.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.601 1.188 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.475 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.9 tt0 -145.01 130.14 9.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.773 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.5 Cg_endo -74.97 132.2 26.77 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.955 -2.519 . . . . 0.0 111.067 -0.06 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.421 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 95.5 p -57.34 -27.33 62.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 110.004 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -134.38 120.54 19.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.773 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -121.12 142.01 39.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.522 1.138 . . . . 0.0 109.336 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.463 HG23 HG12 ' A' ' 96' ' ' VAL . 91.3 m -132.88 100.21 4.84 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.498 1.124 . . . . 0.0 110.467 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 1.016 HG21 ' HB2' ' A' ' 3' ' ' ALA . 5.0 pt -112.82 -179.76 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -75.32 174.24 9.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.747 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -91.28 126.33 36.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.569 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 111.9 -22.87 18.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.819 ' HB3' HD12 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -74.9 -179.92 4.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 0.763 . . . . 0.0 110.266 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.404 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 7.3 pm0 -128.11 178.87 5.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.27 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.015 HG22 ' HB3' ' A' ' 3' ' ' ALA . 3.5 t -138.89 138.64 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.399 1.062 . . . . 0.0 109.366 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.92 131.94 56.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.463 ' O ' ' CB ' ' A' ' 68' ' ' SER . 12.1 m-90 -93.79 163.32 13.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 108.007 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.8 t -142.08 101.1 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 109.285 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -80.13 150.58 30.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.138 . . . . 0.0 109.355 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 8' ' ' GLY . 15.8 m-20 -124.87 -80.83 0.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.581 1.176 . . . . 0.0 109.282 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -129.69 -179.51 5.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.845 HD22 ' HB3' ' A' ' 14' ' ' LEU . 2.7 mp 71.01 50.96 0.3 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.558 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -95.46 163.39 21.64 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.17 . . . . 0.0 109.983 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 63' ' ' PHE . 18.2 Cg_endo -75.03 157.04 99.83 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.928 -2.53 . . . . 0.0 111.03 0.002 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.607 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 1.4 m-70 -124.2 110.54 14.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.597 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.483 ' OD1' HD13 ' A' ' 61' ' ' LEU . 6.1 m-20 -100.55 171.43 7.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 98.0 mt -143.55 99.06 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -108.82 122.71 63.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.684 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -94.75 102.88 14.78 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 111.043 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.845 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -78.54 130.69 36.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.361 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.84 100.49 0.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 109.336 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -132.77 55.57 1.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 134.54 -11.81 4.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.808 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -121.46 -179.74 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 0.0 109.252 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.544 ' H ' HG22 ' A' ' 48' ' ' VAL . 5.3 m-20 -75.79 168.57 19.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' ALA . . . -81.3 -64.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -45.43 -43.59 11.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.508 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -66.17 -34.62 78.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -79.52 -19.8 48.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -72.84 -45.28 59.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -43.0 87.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.91 HD11 ' O ' ' A' ' 72' ' ' THR . 4.4 mp -73.23 -24.92 60.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 3.6 m -75.87 151.55 37.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.064 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.496 ' CE1' ' O ' ' A' ' 70' ' ' THR . 55.8 m-70 -126.86 99.83 5.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.587 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -97.63 40.46 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -119.82 152.3 17.13 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 111.031 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.483 HD13 ' OD1' ' A' ' 40' ' ' ASN . 3.8 mm? -88.52 158.05 18.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 0.713 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.84 107.92 6.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.563 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 6.2 m-85 -119.14 46.19 1.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.12 122.66 15.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.588 1.18 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.2 113.77 3.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.4 26.43 5.67 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.566 1.166 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -76.4 141.85 41.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 0.755 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 4.1 p -145.11 122.6 11.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.944 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -96.69 176.11 6.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.068 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.496 ' O ' ' CE1' ' A' ' 58' ' ' HIS . 1.5 m -134.49 142.75 47.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.382 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.3 t -134.43 135.77 42.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.91 ' O ' HD11 ' A' ' 56' ' ' LEU . 5.5 m -85.65 115.13 23.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.412 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.558 ' CZ ' HG11 ' A' ' 95' ' ' VAL . 4.2 m-30 -102.22 61.96 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.954 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.569 HG22 ' HA2' ' A' ' 26' ' ' GLY . 2.2 p -87.17 -70.07 0.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.48 120.81 43.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.177 . . . . 0.0 110.326 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 100.02 1.32 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.541 1.811 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.77 -147.2 4.49 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.586 1.179 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.7 m -139.99 105.04 4.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 110.459 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.808 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 94.8 m-85 -98.63 145.0 27.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.9 p -125.53 111.35 14.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.432 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.573 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 34.7 p90 -112.01 139.44 47.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.845 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -138.58 179.49 6.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.489 ' HG ' ' CE1' ' A' ' 86' ' ' HIS . 0.1 OUTLIER -80.9 130.23 34.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 108.321 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.516 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -56.97 -50.72 86.56 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 110.388 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -75.0 -52.32 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.49 1.784 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.489 ' CE1' ' HG ' ' A' ' 83' ' ' CYS . 0.1 OUTLIER -87.79 44.75 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.609 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -64.38 -58.29 6.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -104.2 63.66 0.36 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -131.94 -46.34 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.283 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.38 45.68 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.575 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -143.08 98.99 3.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 0.805 . . . . 0.0 110.995 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.642 HG13 ' HB3' ' A' ' 82' ' ' TYR . 2.8 t -146.08 150.84 14.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -128.03 157.33 21.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.43 157.98 26.18 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.51 0.771 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.684 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 75.3 t -140.72 147.04 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.463 HG12 HG23 ' A' ' 22' ' ' THR . 3.9 t -145.21 103.8 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.495 HG22 ' CD2' ' A' ' 73' ' ' PHE . 62.8 t -95.28 140.16 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.747 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.962 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.1 m -76.09 129.34 36.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.16 . . . . 0.0 110.417 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.427 ' CG2' HG11 ' A' ' 21' ' ' VAL . 61.5 t -144.67 100.0 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.25 115.42 18.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.601 ' CE ' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -64.91 -28.65 69.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.163 . . . . 0.0 110.982 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.418 ' N ' ' HG2' ' A' ' 7' ' ' MET . . . -131.5 133.62 7.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.7 t -44.01 167.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 0.74 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.54 68.35 1.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.5 t 67.15 99.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.005 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.87 -67.53 0.16 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.09 167.33 22.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 0.774 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.473 HD13 ' CE1' ' A' ' 86' ' ' HIS . 0.5 OUTLIER -97.93 101.31 12.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.1 m -144.48 140.35 24.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.08 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.596 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 59.2 m-85 -79.79 118.84 21.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 17.0 tt0 -145.2 129.13 8.69 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 110.282 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.776 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.05 132.4 27.45 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.006 -2.497 . . . . 0.0 110.984 0.085 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.417 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 92.7 p -53.87 -33.26 55.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.085 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 m -126.35 117.51 23.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 110.362 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.776 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -121.64 140.79 44.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 m -133.34 100.75 4.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.376 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.902 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.5 pt -108.48 -178.75 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.05 176.58 6.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.74 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -96.7 118.45 33.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.649 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 120.19 -26.8 6.93 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -75.92 178.77 5.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 0.723 . . . . 0.0 110.293 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.44 172.85 9.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.962 HG22 ' HB3' ' A' ' 3' ' ' ALA . 2.5 t -129.87 143.83 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.92 158.35 17.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.498 ' O ' ' CB ' ' A' ' 68' ' ' SER . 7.5 m-90 -127.76 105.92 8.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.013 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 82.9 t -81.06 111.76 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -79.0 110.47 14.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -95.91 -84.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.783 ' C ' HD22 ' A' ' 36' ' ' LEU . 14.9 mmtt -135.44 178.51 6.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.783 HD22 ' C ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER 75.02 29.95 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.53 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -85.27 162.7 47.97 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.582 1.176 . . . . 0.0 110.017 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.581 ' HG3' ' CZ ' ' A' ' 63' ' ' PHE . 18.1 Cg_endo -75.04 156.97 99.85 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.941 -2.525 . . . . 0.0 111.003 -0.011 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 2.2 m-70 -129.23 112.82 14.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.602 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -98.46 161.83 13.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.757 HD13 ' CE1' ' A' ' 58' ' ' HIS . 3.6 mp -126.22 101.37 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.492 HG13 ' HG3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -106.24 108.53 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.701 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -86.3 102.1 13.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.83 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -79.96 103.66 10.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.411 1.07 . . . . 0.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.485 ' HB2' ' HA ' ' A' ' 50' ' ' ALA . . . -39.94 97.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -123.89 75.81 1.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.83 -32.04 6.02 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.963 HG11 ' CD2' ' A' ' 79' ' ' TYR . 2.2 p -96.09 -179.83 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.639 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -75.96 143.97 41.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.238 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.485 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . . . -63.03 -55.68 23.53 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.812 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -44.45 -48.77 9.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.713 HG21 ' OH ' ' A' ' 79' ' ' TYR . 24.1 m -57.82 -59.06 5.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.74 -15.89 34.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.402 1.064 . . . . 0.0 109.347 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.812 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -64.26 -59.54 4.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -37.45 66.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.672 HD13 HG22 ' A' ' 52' ' ' THR . 0.1 OUTLIER -57.03 -24.68 55.55 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.13 . . . . 0.0 109.25 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 80.4 p -87.5 131.89 34.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.757 ' CE1' HD13 ' A' ' 41' ' ' ILE . 3.2 p80 -130.71 101.69 5.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 109.622 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.492 ' HG3' HG13 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -70.96 -74.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 45.97 -154.7 0.65 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.461 ' HG ' ' CB ' ' A' ' 38' ' ' PRO . 3.4 tp -179.0 93.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.562 0.801 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.51 142.86 27.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.581 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 10.7 m-85 -131.1 21.98 4.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -135.72 139.08 43.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.26 77.11 10.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.238 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -171.2 -39.19 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 111.037 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -74.64 144.53 43.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 0.723 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 12.8 p -138.84 133.24 31.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.967 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.517 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 12.1 m-85 -76.13 174.42 10.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 12.1 m -145.35 155.43 43.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.0 t -144.93 146.48 32.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.939 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.644 ' O ' HD11 ' A' ' 56' ' ' LEU . 87.0 m -88.14 112.66 22.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 0.0 110.369 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.685 ' CD2' HD11 ' A' ' 23' ' ' ILE . 4.6 m-30 -103.0 46.81 0.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 111.056 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.649 HG22 ' HA2' ' A' ' 26' ' ' GLY . 2.0 p -75.5 -70.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.12 119.8 12.91 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 100.64 1.38 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.415 1.745 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.71 -142.31 3.42 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.111 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 78' ' ' THR . 15.0 t -145.18 110.95 5.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 110.416 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.963 ' CD2' HG11 ' A' ' 48' ' ' VAL . 87.0 m-85 -107.46 138.56 43.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.6 m -115.11 115.41 26.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.414 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.585 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 28.0 p90 -118.39 133.28 56.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.83 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -140.3 -179.46 6.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.963 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.513 ' SG ' ' CE1' ' A' ' 39' ' ' HIS . 0.1 OUTLIER -79.45 138.93 37.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 108.341 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.523 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -65.05 -50.45 61.64 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -74.97 -49.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.473 ' CE1' HD13 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -87.83 45.04 1.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.595 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.69 -1.31 55.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -145.11 50.84 0.63 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -135.95 -46.9 0.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 146.22 47.82 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.466 1.104 . . . . 0.0 111.026 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.596 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -138.28 99.62 3.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 0.793 . . . . 0.0 111.081 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.543 HG12 ' N ' ' A' ' 93' ' ' GLY . 42.4 t -145.71 169.36 6.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.543 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -146.84 138.21 7.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -110.67 134.14 52.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.375 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.701 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 70.5 t -114.12 147.23 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.289 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.3 t -144.92 100.09 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.595 1.184 . . . . 0.0 109.247 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.671 HG11 ' O ' ' A' ' 73' ' ' PHE . 42.0 t -92.0 138.2 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.74 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 1.09 ' HB2' HG21 ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.3 m -91.63 134.86 34.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.776 HG11 ' OH ' ' A' ' 81' ' ' TYR . 53.8 t -144.5 109.02 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.43 141.01 35.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.239 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -89.5 29.0 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.4 -141.03 3.22 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.462 1.101 . . . . 0.0 111.062 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.423 ' OG ' ' CG2' ' A' ' 15' ' ' VAL . 53.5 m -155.34 142.08 18.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 0.776 . . . . 0.0 110.002 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -74.51 58.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 t -153.62 -70.73 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.08 . . . . 0.0 109.966 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.59 42.46 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.559 1.162 . . . . 0.0 110.96 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.1 128.86 17.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 0.744 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.486 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -80.86 100.13 8.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.416 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.423 ' CG2' ' OG ' ' A' ' 9' ' ' SER . 26.8 m -145.06 138.98 22.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.598 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 40.7 m-85 -82.87 112.3 19.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.467 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 7.0 tt0 -144.11 131.86 10.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.271 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.663 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.95 132.06 26.26 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.003 -0.047 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.435 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 35.6 p -55.63 -36.12 66.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 m -122.85 128.12 49.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.364 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.663 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.2 m -134.05 143.57 37.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.6 m -129.01 111.0 12.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.409 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 1.09 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.7 pt -116.16 -179.49 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -74.49 173.33 10.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.802 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -99.31 105.46 17.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.435 1.084 . . . . 0.0 109.245 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 129.24 -6.19 6.34 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.422 1.076 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.53 -179.7 5.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 0.777 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.468 ' N ' ' CD ' ' A' ' 28' ' ' GLU . 6.4 mp0 -116.99 -179.96 3.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 110.349 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.942 HG22 ' HB3' ' A' ' 3' ' ' ALA . 9.5 t -139.33 150.7 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -117.18 156.35 27.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.698 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 5.8 m-90 -135.58 102.39 5.1 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 82.2 t -87.38 145.77 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -109.61 150.5 28.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -128.09 -79.16 0.58 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.223 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -140.33 175.0 9.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.486 HD13 ' HB3' ' A' ' 14' ' ' LEU . 0.3 OUTLIER 78.53 52.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.53 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -98.93 162.01 22.96 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.008 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.53 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.04 160.97 95.75 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 120.94 -2.525 . . . . 0.0 111.025 -0.012 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.422 ' CD2' ' SG ' ' A' ' 83' ' ' CYS . 0.1 OUTLIER -138.83 122.81 17.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.653 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.455 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -109.92 -179.63 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.342 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.731 HG22 ' CE1' ' A' ' 43' ' ' PHE . 43.2 mt -141.6 103.48 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.613 HG13 ' HG2' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -107.48 133.28 52.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.731 ' CE1' HG22 ' A' ' 41' ' ' ILE . 3.0 m-85 -104.88 106.52 17.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -84.63 111.31 19.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.181 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.12 96.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -122.7 77.28 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.36 -27.55 8.87 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.816 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -96.17 177.64 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.47 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -77.33 128.46 34.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.1 -62.14 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.321 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.802 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -45.58 -62.62 1.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.522 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 2.0 m -42.6 -62.36 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.382 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.694 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -56.71 -26.71 57.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.802 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -62.67 -42.83 99.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -16.26 61.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.881 HD21 ' O ' ' A' ' 72' ' ' THR . 0.3 OUTLIER -105.4 0.4 26.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.544 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -87.71 111.5 21.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 110.06 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.807 ' CE1' ' CD1' ' A' ' 69' ' ' PHE . 5.1 m-70 -87.69 170.54 11.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.598 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.613 ' HG2' HG13 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -179.46 60.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.57 ' C ' HD22 ' A' ' 61' ' ' LEU . . . -106.06 171.94 18.37 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.453 1.096 . . . . 0.0 111.052 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.57 HD22 ' C ' ' A' ' 60' ' ' GLY . 3.6 mm? -121.44 75.05 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.421 0.718 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.5 145.61 36.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.539 ' CZ ' ' O ' ' A' ' 61' ' ' LEU . 4.7 m-85 -135.14 -44.03 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.83 128.69 35.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.3 86.02 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.89 -35.56 0.08 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -75.19 126.29 30.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 0.748 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.7 m -125.3 144.72 50.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.032 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.807 ' CD1' ' CE1' ' A' ' 58' ' ' HIS . 1.6 m-85 -92.33 168.99 10.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 95.1 m -140.57 157.96 44.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.359 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.414 ' OG ' ' CE1' ' A' ' 73' ' ' PHE . 2.0 p -143.96 173.5 11.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 109.954 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.881 ' O ' HD21 ' A' ' 56' ' ' LEU . 3.3 m -116.87 117.6 30.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.416 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.84 ' CE2' HG21 ' A' ' 29' ' ' VAL . 4.9 m-30 -105.72 65.08 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.6 p -87.75 -51.61 5.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.398 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.23 120.25 78.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 106.88 2.36 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.803 . . . . 0.0 111.052 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -169.2 -151.21 7.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.4 m -126.25 137.57 53.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 110.37 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.816 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 88.3 m-85 -129.62 98.65 4.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 54.9 m -80.94 105.98 12.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.444 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.776 ' OH ' HG11 ' A' ' 5' ' ' VAL . 20.4 p90 -117.38 118.81 33.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.582 1.176 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.96 ' HB3' HG13 ' A' ' 92' ' ' VAL . 0.4 OUTLIER -117.55 -179.37 3.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.422 ' SG ' ' CD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -84.12 127.47 33.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 108.328 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.499 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -53.81 -51.8 73.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -75.02 -52.75 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -89.02 44.26 1.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.397 1.06 . . . . 0.0 109.619 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -64.67 -58.06 7.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.27 65.83 0.24 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.22 -48.5 0.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 0.732 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 151.13 43.89 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -145.3 99.31 3.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.764 . . . . 0.0 110.966 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.96 HG13 ' HB3' ' A' ' 82' ' ' TYR . 3.4 t -145.76 157.27 12.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.567 ' O ' ' CD1' ' A' ' 81' ' ' TYR . . . -139.79 123.96 2.6 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.552 1.158 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.91 109.48 22.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.604 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 2.2 t -86.97 147.53 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.407 1.067 . . . . 0.0 109.362 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.4 t -140.27 136.66 37.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.558 1.162 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.562 HG22 ' CD2' ' A' ' 73' ' ' PHE . 97.8 t -123.07 139.64 49.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.229 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.802 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.568 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.4 m -143.31 141.72 31.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.732 HG11 ' OH ' ' A' ' 81' ' ' TYR . 48.3 t -136.06 119.62 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.361 1.038 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -92.98 129.23 38.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 0.0 109.389 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.667 ' CG ' HD11 ' A' ' 41' ' ' ILE . 16.4 mtm -44.53 -73.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.3 -158.87 34.99 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.511 ' HB2' HG22 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -120.13 152.18 38.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 0.727 . . . . 0.0 110.01 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.71 66.17 1.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -154.68 -80.83 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.39 1.056 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.8 39.29 0.03 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.33 152.38 39.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.409 0.711 . . . . 0.0 109.338 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.708 HD12 ' HG3' ' A' ' 91' ' ' MET . 0.8 OUTLIER -88.42 99.69 12.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.511 HG22 ' HB2' ' A' ' 9' ' ' SER . 29.4 m -143.26 135.47 24.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.597 ' CD2' ' HE2' ' A' ' 91' ' ' MET . 39.3 m-85 -90.03 115.13 27.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.501 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 11.0 tt0 -143.76 134.46 12.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.327 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.676 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -74.95 133.9 33.47 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.996 -0.002 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.421 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 89.5 p -55.64 -30.61 61.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.954 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 m -133.24 136.84 45.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.369 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.676 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -139.6 152.15 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.754 HG23 HG12 ' A' ' 96' ' ' VAL . 15.6 m -139.85 114.9 9.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 110.434 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.642 HD11 ' CD2' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -124.49 -178.98 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -74.23 173.62 9.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.68 113.58 25.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.18 -22.85 6.62 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.12 179.58 4.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 0.762 . . . . 0.0 110.267 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' A' ' 28' ' ' GLU . 22.1 pm0 -123.75 170.13 10.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.776 HG21 ' CE2' ' A' ' 73' ' ' PHE . 44.4 t -136.53 132.03 48.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -98.75 162.42 13.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.683 ' CD1' HD13 ' A' ' 41' ' ' ILE . 3.5 m-90 -125.97 172.72 9.7 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.4 t -143.59 140.22 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.405 ' ND2' ' HB1' ' A' ' 62' ' ' ALA . 0.3 OUTLIER -77.61 140.85 39.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 9' ' ' SER . 4.4 t-20 -135.02 -179.53 5.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -74.76 -178.84 3.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.652 HD22 ' N ' ' A' ' 36' ' ' LEU . 1.1 mm? 69.13 67.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.535 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -99.09 162.2 22.22 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.989 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.535 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.01 163.21 91.24 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.019 -2.492 . . . . 0.0 111.011 0.011 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.618 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -141.62 99.66 3.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.482 1.114 . . . . 0.0 109.663 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -99.43 174.1 6.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.683 HD13 ' CD1' ' A' ' 31' ' ' TRP . 96.5 mt -144.85 99.15 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 109.251 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.2 p -127.33 115.57 40.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.664 ' CD1' ' HB3' ' A' ' 79' ' ' TYR . 10.3 m-85 -71.74 143.71 49.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.773 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -110.13 106.76 16.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.49 96.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.4 m-20 -125.89 70.95 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.168 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.64 -10.6 27.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.039 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -110.8 -178.69 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.579 0.811 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.519 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -74.58 172.64 11.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.94 -63.51 1.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.64 -27.04 36.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.234 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.545 HG22 ' OH ' ' A' ' 79' ' ' TYR . 75.8 m -73.8 -51.31 16.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.597 1.186 . . . . 0.0 110.449 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.518 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -72.01 -11.5 60.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.1 -56.54 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -65.59 -27.82 68.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.628 HD11 ' O ' ' A' ' 72' ' ' THR . 0.5 OUTLIER -76.52 -25.79 54.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.6 p -86.36 158.55 19.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.062 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 76.4 m-70 -123.19 141.22 52.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.123 . . . . 0.0 109.595 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -122.03 56.18 1.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -124.53 -150.94 7.98 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.558 1.161 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.1 mp -138.77 -177.55 4.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 0.725 . . . . 0.0 109.32 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.405 ' HB1' ' ND2' ' A' ' 33' ' ' ASN . . . -145.08 98.57 3.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -129.28 -52.1 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.63 115.8 15.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.62 98.11 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 152.68 -21.55 0.81 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 111.06 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -74.88 122.79 23.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 0.746 . . . . 0.0 110.343 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.7 m -125.79 159.59 31.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.963 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.552 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 19.1 m-30 -122.13 167.02 13.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.409 1.068 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.425 ' O ' ' NE2' ' A' ' 58' ' ' HIS . 2.4 m -140.28 150.32 43.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.368 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.441 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 2.8 t -139.97 131.64 27.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.977 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.628 ' O ' HD11 ' A' ' 56' ' ' LEU . 7.2 m -76.14 116.63 17.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.776 ' CE2' HG21 ' A' ' 29' ' ' VAL . 4.6 m-30 -98.17 49.43 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.9 m -74.6 -70.12 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.414 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -53.17 118.51 14.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.271 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 100.31 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 0.0 111.04 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -158.81 -143.55 3.69 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.473 1.108 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 46' ' ' ASP . 6.1 t -132.51 140.02 48.16 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.445 0.732 . . . . 0.0 110.376 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 1.039 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 90.9 m-85 -138.67 120.83 15.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.493 ' O ' ' CG2' ' A' ' 80' ' ' THR . 0.7 OUTLIER -108.7 113.14 25.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.432 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.732 ' OH ' HG11 ' A' ' 5' ' ' VAL . 31.2 p90 -108.27 139.79 42.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.773 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -145.15 -179.75 6.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 111.018 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 87' ' ' ARG . 0.6 OUTLIER -81.89 113.09 19.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 108.257 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.533 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -43.27 -49.81 15.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.99 -43.41 0.4 Allowed 'Trans proline' 0 C--N 1.362 1.241 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.449 ' N ' ' CD2' ' A' ' 86' ' ' HIS . 0.2 OUTLIER -99.04 48.29 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.621 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 83' ' ' CYS . 9.6 ptt180 -84.71 1.84 44.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.52 1.137 . . . . 0.0 110.279 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -150.46 64.54 0.39 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.462 1.101 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -145.11 -46.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.238 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 146.63 44.25 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.708 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -145.28 98.96 3.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.77 . . . . 0.0 111.014 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.508 ' CG2' ' N ' ' A' ' 93' ' ' GLY . 0.2 OUTLIER -146.76 164.35 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.534 ' HA3' ' CE1' ' A' ' 81' ' ' TYR . . . -140.96 154.7 24.59 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -120.08 159.08 25.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 0.735 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.411 HG13 ' CE2' ' A' ' 73' ' ' PHE . 7.2 t -141.34 145.77 24.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.423 1.077 . . . . 0.0 109.358 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.754 HG12 HG23 ' A' ' 22' ' ' THR . 4.0 t -139.05 119.33 14.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.601 HG11 ' O ' ' A' ' 73' ' ' PHE . 78.3 t -110.17 129.93 64.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.939 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 1.071 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 84.6 m -143.97 104.28 4.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.367 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.563 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 85.9 t -103.9 152.84 6.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 pttm -127.75 117.53 22.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.365 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.57 ' SD ' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -75.3 119.09 18.95 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.26 107.87 0.05 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.2 p -45.01 153.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.749 . . . . 0.0 110.028 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -75.19 58.9 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.249 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 t -145.02 -66.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.0 43.11 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.72 136.48 25.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 0.797 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.669 HD12 ' HG3' ' A' ' 91' ' ' MET . 1.0 OUTLIER -88.25 100.38 12.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 m -144.12 132.33 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -80.42 110.95 16.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.602 1.189 . . . . 0.0 111.054 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.488 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -142.5 130.28 11.37 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.712 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -75.04 132.53 27.87 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.926 -2.531 . . . . 0.0 110.986 -0.001 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.426 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 83.5 p -54.93 -35.15 63.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.7 m -125.11 118.96 27.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.399 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.712 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -121.82 129.75 75.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.8 m -113.81 107.71 16.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.391 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 1.022 HG21 ' HB2' ' A' ' 3' ' ' ALA . 5.2 pt -116.29 -179.44 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -74.93 177.0 6.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.434 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -97.13 88.7 4.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.24 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 142.03 -13.03 2.6 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.554 1.159 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.414 ' HB3' HD12 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -74.57 -179.81 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.248 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.497 ' CG ' ' N ' ' A' ' 29' ' ' VAL . 16.1 tt0 -121.98 159.72 26.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.215 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.071 HG22 ' HB3' ' A' ' 3' ' ' ALA . 64.7 t -125.81 114.18 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -90.13 145.48 25.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.363 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.563 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 2.8 m-90 -123.32 144.96 49.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 108.011 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.5 t -127.5 138.43 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -101.58 129.01 47.59 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -115.2 -83.45 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.412 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -122.51 179.92 4.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.327 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.642 HD22 ' N ' ' A' ' 36' ' ' LEU . 0.5 OUTLIER 59.68 62.06 1.81 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.603 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -106.49 165.14 13.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.03 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.603 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.11 164.3 88.67 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.927 -2.531 . . . . 0.0 110.954 0.048 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.545 ' CD2' ' HB3' ' A' ' 7' ' ' MET . 1.6 m-70 -125.0 122.19 36.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.552 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 58' ' ' HIS . 20.7 t-20 -110.92 169.38 8.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.57 HD11 ' SD ' ' A' ' 7' ' ' MET . 56.0 mt -142.53 98.23 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.469 ' CG1' ' HG2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -110.47 130.54 63.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.253 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.762 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 0.7 OUTLIER -92.75 91.64 7.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 111.013 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.501 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -74.63 103.55 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.48 ' HB2' ' HA ' ' A' ' 50' ' ' ALA . . . -44.19 97.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 44' ' ' ALA . 2.7 m-20 -115.56 68.97 0.72 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.13 -22.34 27.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.943 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 2.5 p -92.46 -179.88 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.645 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -75.15 132.29 41.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.27 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.48 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . . . -59.7 -37.68 79.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.87 -40.18 91.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.69 HG21 ' OH ' ' A' ' 79' ' ' TYR . 12.6 m -69.44 -51.28 37.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.41 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.762 ' HB1' ' O ' ' A' ' 43' ' ' PHE . . . -59.48 -26.21 65.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.73 -39.31 80.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -75.8 -42.43 50.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.6 ' HB3' ' CE2' ' A' ' 43' ' ' PHE . 7.2 mp -78.71 0.5 26.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 1.1 m -92.06 146.53 23.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.453 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 54.4 m80 -136.34 100.19 4.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.597 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 24.8 mttt -101.27 9.96 41.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.45 -60.57 8.3 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.54 HD22 ' HB2' ' A' ' 38' ' ' PRO . 0.4 OUTLIER 80.04 131.7 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -121.86 134.97 54.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 109.229 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.485 ' HE1' HD13 ' A' ' 61' ' ' LEU . 6.2 m-30 -110.51 34.84 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.69 159.6 41.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -101.46 98.92 9.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 155.85 -24.72 0.56 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.525 1.141 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -75.02 134.75 41.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 110.316 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 3.6 m -118.89 179.18 4.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.046 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.612 ' CD1' ' N ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -136.26 149.21 48.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 p -129.87 145.42 51.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 31.4 t -139.4 142.06 37.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.997 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.1 m -96.78 113.78 25.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 110.369 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.662 ' HB2' HD11 ' A' ' 23' ' ' ILE . 4.8 m-30 -96.78 64.55 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 45.7 m -81.6 -55.25 4.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.365 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -73.12 128.2 88.11 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.428 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.2 Cg_endo -74.99 126.84 10.23 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 167.43 -170.22 41.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.103 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.2 m -114.86 126.45 54.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 110.446 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.943 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 96.8 m-85 -116.44 101.41 8.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.3 m -75.71 93.56 3.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 20.7 p90 -104.28 131.97 51.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.612 ' HB3' HG13 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -135.02 179.99 5.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 110.974 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.408 ' SG ' ' ND1' ' A' ' 39' ' ' HIS . 0.1 OUTLIER -78.86 129.81 34.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 108.286 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.4 OUTLIER -56.12 -52.21 74.52 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -75.04 -48.64 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.495 1.787 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.99 54.25 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.569 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.04 -57.91 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.17 67.57 0.54 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.49 -47.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 144.51 44.91 0.04 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.669 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -143.81 99.28 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 0.799 . . . . 0.0 110.954 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.612 HG13 ' HB3' ' A' ' 82' ' ' TYR . 40.1 t -145.99 158.88 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -129.33 161.54 22.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -133.13 99.2 4.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 0.764 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.595 HG13 ' CE2' ' A' ' 73' ' ' PHE . 2.4 t -77.94 151.54 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.6 t -145.0 103.19 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.357 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.589 HG22 ' CD2' ' A' ' 73' ' ' PHE . 30.0 t -90.03 143.45 11.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.434 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 26.1 t70 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 1.016 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 54.4 m -90.78 128.47 36.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.365 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.641 HG22 ' HD2' ' A' ' 18' ' ' PRO . 70.8 t -136.69 102.95 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -76.66 147.28 37.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.71 ' SD ' HD11 ' A' ' 41' ' ' ILE . 54.3 mtm -110.95 40.88 1.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 150.0 106.98 0.39 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.435 1.084 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.3 p -41.3 155.92 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 110.074 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -75.78 60.32 1.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.219 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.5 t -148.93 -69.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.06 46.8 0.02 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.514 1.134 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.23 121.79 14.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 0.762 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.02 101.58 7.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.4 m -143.09 137.5 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.436 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 20.4 m-85 -85.63 103.46 14.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -133.8 127.78 19.53 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.568 1.168 . . . . 0.0 110.209 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.811 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.96 137.79 52.33 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.032 -0.109 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.9 p -60.44 -22.97 64.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.5 m -140.27 127.4 20.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.381 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.811 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -130.72 147.04 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.43 1.082 . . . . 0.0 109.345 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.3 m -132.06 100.01 4.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.858 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.1 pp -108.36 -179.38 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.577 ' O ' HD12 ' A' ' 23' ' ' ILE . 32.5 mmtp -78.46 175.36 10.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.242 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.4 115.8 27.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.67 -19.96 8.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.426 1.079 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.76 175.39 8.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 0.0 110.334 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -116.45 176.1 5.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.016 HG22 ' HB3' ' A' ' 3' ' ' ALA . 3.9 t -144.88 142.56 22.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.426 ' CG ' ' HB2' ' A' ' 68' ' ' SER . 2.0 ttpt -115.28 155.31 27.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.452 ' CH2' ' HB3' ' A' ' 71' ' ' SER . 10.6 m-90 -129.45 108.32 10.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 6.6 p -89.75 137.92 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 46.0 p30 -103.45 166.54 10.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -146.9 -66.71 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.486 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -145.28 -179.14 6.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.542 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.2 mm? 67.66 47.91 1.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.57 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -95.77 164.44 18.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 110.025 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.57 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.06 159.13 98.4 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 120.943 -2.524 . . . . 0.0 110.993 0.088 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -125.45 99.62 6.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.646 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -90.82 171.18 9.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.71 HD11 ' SD ' ' A' ' 7' ' ' MET . 66.4 mt -140.28 99.35 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -114.02 105.94 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.683 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 0.6 OUTLIER -77.23 104.9 8.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.406 1.066 . . . . 0.0 111.019 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.996 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -82.45 108.76 16.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' ALA . . . -40.08 96.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 44' ' ' ALA . 18.6 m-20 -124.46 63.45 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.38 -24.31 5.9 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.948 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -102.54 177.29 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.768 . . . . 0.0 109.273 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.484 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -74.6 141.37 44.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.231 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -61.0 -41.46 96.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.585 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 7.5 m-20 -62.09 -60.11 4.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.504 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -53.21 -36.18 60.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.419 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.571 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -79.6 -21.02 45.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.217 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -60.55 -39.91 89.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -79.41 -55.57 4.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.614 HD12 ' CE1' ' A' ' 79' ' ' TYR . 5.0 mt -49.79 -34.21 18.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 77.8 p -78.44 141.97 37.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.037 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.509 ' O ' HG13 ' A' ' 42' ' ' VAL . 22.8 m80 -108.04 179.64 4.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 109.586 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -173.39 34.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.28 -123.72 4.85 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.583 1.177 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 tp -171.79 157.83 4.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 0.783 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.22 110.91 7.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.533 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 9.1 m-85 -136.27 38.18 2.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 111.043 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.404 ' HB3' ' HG3' ' A' ' 67' ' ' GLU . . . -145.31 117.15 8.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.63 101.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 118.1 39.47 0.75 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.404 ' HG3' ' HB3' ' A' ' 64' ' ' ALA . 0.1 OUTLIER -119.71 102.49 8.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 110.302 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.426 ' HB2' ' CG ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -111.74 138.34 48.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.994 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -89.64 177.96 6.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.1 m -141.32 151.58 43.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 1.072 . . . . 0.0 110.428 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.452 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 7.3 t -144.97 143.63 30.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.999 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.527 ' O ' HD21 ' A' ' 56' ' ' LEU . 21.1 m -94.11 114.82 27.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.341 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.64 ' CB ' HD11 ' A' ' 23' ' ' ILE . 4.5 m-30 -97.24 50.98 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -72.6 -70.28 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.72 123.77 76.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 118.72 5.37 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.498 1.788 . . . . 0.0 111.041 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.64 -149.14 6.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 m -137.89 101.47 4.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 110.463 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.948 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 94.9 m-85 -98.54 131.87 44.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.2 m -109.32 117.85 35.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.402 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.58 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 31.7 p90 -114.93 141.3 48.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.996 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -144.11 179.86 6.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 111.004 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 1.055 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 3.5 m -88.86 124.92 34.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.581 1.176 . . . . 0.0 108.265 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.479 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 2.2 mt-10 -42.96 -52.57 11.38 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.523 ' HG2' ' CE1' ' A' ' 86' ' ' HIS . 18.2 Cg_endo -74.98 -30.38 7.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.523 ' CE1' ' HG2' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -116.35 68.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.143 . . . . 0.0 109.599 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.27 -50.14 4.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.294 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -110.61 48.17 0.97 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -111.67 -36.96 5.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 146.34 -30.29 1.6 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.103 . . . . 0.0 111.029 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' MET . . . . . 1.055 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.1 OUTLIER -80.95 101.16 9.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 0.796 . . . . 0.0 111.019 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.958 HG13 ' HB3' ' A' ' 82' ' ' TYR . 2.6 t -145.31 156.62 13.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.455 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -118.19 171.63 14.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.11 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.98 128.93 20.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.683 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 76.2 t -106.09 145.03 14.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.5 t -142.73 100.96 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.417 HG22 ' CD2' ' A' ' 73' ' ' PHE . 61.0 t -94.1 145.37 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.546 1.154 . . . . 0.0 109.366 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.993 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.3 m -119.1 141.91 48.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.139 . . . . 0.0 110.365 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.625 HG22 ' HD2' ' A' ' 18' ' ' PRO . 38.8 t -139.8 119.21 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.0 120.81 40.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.633 ' HE3' ' HB3' ' A' ' 39' ' ' HIS . 53.2 mtm -92.54 75.86 5.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 127.25 109.08 1.55 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.9 p -40.66 152.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 0.732 . . . . 0.0 109.979 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -74.94 61.57 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.76 -57.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.041 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.98 50.98 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.4 ' O ' HG22 ' A' ' 15' ' ' VAL . . . -136.6 126.89 26.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 0.719 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.729 HD13 ' CD2' ' A' ' 86' ' ' HIS . 3.2 pp -74.5 99.72 3.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 13' ' ' ALA . 3.1 m -145.84 145.93 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.637 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 2.8 m-85 -94.0 116.93 29.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.531 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -144.35 139.43 15.7 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.338 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.886 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.02 134.37 35.64 Favored 'Cis proline' 0 C--N 1.359 1.106 0 C-N-CA 121.03 -2.487 . . . . 0.0 110.952 0.004 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.433 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 13.8 t -49.83 -30.5 9.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -135.95 123.36 22.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.886 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -123.98 133.16 70.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 m -131.11 108.59 9.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.439 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.933 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.1 pt -120.02 -179.85 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.528 ' O ' HD12 ' A' ' 23' ' ' ILE . 17.7 mmtt -78.65 175.4 10.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.28 131.02 38.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.23 -25.54 21.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.21 179.7 4.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 0.74 . . . . 0.0 110.331 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -127.3 171.14 11.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.993 HG22 ' HB3' ' A' ' 3' ' ' ALA . 3.2 t -126.68 162.74 30.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.447 1.092 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.48 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 7.9 ttmt -133.06 141.86 48.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.643 ' CZ3' ' NE2' ' A' ' 58' ' ' HIS . 7.1 m-90 -111.3 160.05 17.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 108.008 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 5' ' ' VAL . 32.9 t -145.16 111.77 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.374 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.785 ' ND2' ' HB1' ' A' ' 62' ' ' ALA . 66.6 t30 -74.69 161.16 29.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -137.8 -86.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -138.14 -179.34 5.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.412 1.07 . . . . 0.0 109.352 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.602 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 2.8 mm? 68.4 39.36 2.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.628 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -77.51 167.31 37.31 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.025 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.628 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.01 167.37 80.64 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.984 0.066 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.633 ' HB3' ' HE3' ' A' ' 7' ' ' MET . 2.3 m-70 -140.38 100.32 3.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 109.552 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -105.91 161.81 14.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.668 HD13 ' CE1' ' A' ' 58' ' ' HIS . 2.1 mp -114.16 112.93 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.542 HG13 ' HG2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -120.36 101.63 11.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.618 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -80.22 97.99 7.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.525 1.141 . . . . 0.0 111.039 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.886 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -74.69 102.75 4.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.66 ' HB2' ' HA ' ' A' ' 50' ' ' ALA . . . -39.3 97.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 44' ' ' ALA . 10.7 t70 -125.9 75.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.27 -29.75 6.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.971 HG11 ' CD1' ' A' ' 79' ' ' TYR . 2.4 p -99.87 -179.55 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.529 0.782 . . . . 0.0 109.357 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.65 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -74.62 136.17 41.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.66 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . . . -58.55 -52.0 67.5 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.647 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -50.72 -47.37 59.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.373 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.609 HG21 ' OH ' ' A' ' 79' ' ' TYR . 85.7 m -59.63 -50.36 74.16 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.418 1.074 . . . . 0.0 110.374 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.64 -16.8 64.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -68.13 -44.77 75.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -81.61 -44.18 17.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.53 HD12 ' CE1' ' A' ' 79' ' ' TYR . 3.4 mt -56.44 -18.44 11.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 86.3 p -90.23 149.73 22.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.975 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.668 ' CE1' HD13 ' A' ' 41' ' ' ILE . 1.4 p80 -144.76 99.57 3.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.515 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.542 ' HG2' HG13 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -80.44 54.67 2.09 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.541 ' HA3' ' CZ ' ' A' ' 69' ' ' PHE . . . -86.96 128.1 8.76 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.461 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 4.2 mm? -79.74 123.66 27.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 0.782 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.785 ' HB1' ' ND2' ' A' ' 33' ' ' ASN . . . -89.24 100.55 13.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 6.4 m-85 -121.09 -40.96 2.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.573 1.17 . . . . 0.0 111.062 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.79 118.55 30.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.7 98.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.246 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 134.13 44.63 0.12 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.4 111.24 16.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 0.735 . . . . 0.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.5 p -112.07 139.07 47.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.962 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.541 ' CZ ' ' HA3' ' A' ' 60' ' ' GLY . 29.8 m-85 -106.21 175.24 5.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.689 HG23 ' O ' ' A' ' 29' ' ' VAL . 10.5 m -144.89 151.86 39.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.569 1.168 . . . . 0.0 110.415 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.419 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 8.1 t -141.27 135.59 30.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.172 . . . . 0.0 109.97 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.578 ' CG2' HG23 ' A' ' 74' ' ' THR . 13.1 m -81.06 118.84 22.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.354 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.602 ' CB ' HD11 ' A' ' 23' ' ' ILE . 4.0 m-30 -104.58 50.1 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.578 HG23 ' CG2' ' A' ' 72' ' ' THR . 2.5 p -73.99 -69.26 0.45 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.64 119.19 41.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.275 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 111.38 3.31 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.462 1.769 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -157.3 -140.58 2.97 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 86.4 m -144.93 93.17 2.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 0.73 . . . . 0.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.971 ' CD1' HG11 ' A' ' 48' ' ' VAL . 94.5 m-85 -90.83 135.55 33.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.077 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 21.1 m -116.18 112.6 21.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 110.436 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.586 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 32.3 p90 -114.56 142.84 45.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.886 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -145.4 -179.95 6.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 111.0 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.593 ' SG ' ' CE1' ' A' ' 86' ' ' HIS . 0.7 OUTLIER -86.26 155.9 20.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 108.305 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 6.2 mt-10 -80.85 -47.31 1.18 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 0.0 110.266 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.09 0.5 8.87 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.513 1.796 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.729 ' CD2' HD13 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -171.78 83.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.578 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.17 11.41 37.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.64 37.97 0.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.095 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 86' ' ' HIS . . . -122.84 32.68 5.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 109.243 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 97.72 6.53 57.2 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.637 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -122.81 99.69 6.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 111.016 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.549 HG12 ' N ' ' A' ' 93' ' ' GLY . 58.0 t -146.05 168.46 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.252 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.549 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -150.44 132.5 3.96 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -116.61 121.2 41.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.744 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.61 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 55.9 t -105.11 146.73 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.2 t -145.32 101.63 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.407 HG22 ' CD2' ' A' ' 73' ' ' PHE . 31.4 t -93.66 144.62 9.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.844 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.4 m -144.84 139.31 27.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.491 ' CG2' HG11 ' A' ' 21' ' ' VAL . 4.1 t -141.55 122.1 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -94.89 101.12 12.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.494 ' SD ' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -50.57 97.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.18 -173.52 19.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.561 1.163 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.9 p -102.27 159.92 14.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 0.74 . . . . 0.0 109.928 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.43 69.16 1.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.0 t 70.48 103.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.96 -72.59 0.22 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.6 173.59 11.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.777 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.621 HD13 ' CE1' ' A' ' 86' ' ' HIS . 0.6 OUTLIER -102.14 100.85 11.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.5 m -145.4 132.79 15.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.598 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 52.2 m-85 -75.44 123.09 24.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.468 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 8.1 tp10 -143.2 126.93 9.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.81 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.02 130.62 21.75 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.007 -0.02 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.435 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 82.6 p -48.87 -38.1 21.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.025 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.5 m -126.3 128.04 46.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.81 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.1 m -129.76 144.49 37.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.2 m -133.64 111.21 10.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.368 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.844 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 1.1 pt -119.32 -179.06 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.532 ' O ' HG13 ' A' ' 97' ' ' VAL . 10.9 mttt -74.64 176.79 6.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.45 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . . . -101.09 90.85 4.29 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 148.24 -17.83 1.34 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -81.81 179.39 7.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 0.796 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -120.52 176.11 5.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.275 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.568 HG21 ' CE2' ' A' ' 73' ' ' PHE . 91.9 t -136.43 127.82 43.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -101.71 136.67 41.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.382 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.433 ' O ' ' CB ' ' A' ' 68' ' ' SER . 1.0 OUTLIER -106.31 172.39 6.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 108.039 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.1 t -144.15 136.12 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -75.64 113.26 12.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -107.96 -165.9 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.448 ' CB ' HD22 ' A' ' 36' ' ' LEU . 16.8 mmtt -77.33 -178.94 5.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.554 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.2 mm? 69.36 53.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.521 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -97.35 162.13 23.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.966 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.53 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.3 Cg_endo -75.07 163.7 90.07 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 120.962 -2.516 . . . . 0.0 111.009 0.09 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -139.03 129.0 25.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.571 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -119.26 169.63 9.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.666 HG21 ' CE1' ' A' ' 58' ' ' HIS . 2.4 mp -133.13 99.72 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.217 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.39 113.7 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.623 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -89.66 98.51 11.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.854 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -76.5 104.54 7.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.64 97.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 44' ' ' ALA . 41.1 t0 -122.44 75.24 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.41 -26.52 8.56 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.464 1.103 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.624 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -101.29 179.84 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 0.792 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.511 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -76.34 143.51 40.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.461 1.101 . . . . 0.0 109.355 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.37 -67.66 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.765 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -40.5 -41.29 1.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.789 HG22 ' HE2' ' A' ' 79' ' ' TYR . 2.9 m -60.64 -71.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -48.13 -24.41 1.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.765 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -57.37 -70.41 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -56.49 -25.5 51.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.623 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -79.46 -19.35 50.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.407 1.067 . . . . 0.0 109.277 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 53' ' ' ALA . 87.1 p -91.62 140.78 29.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.994 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.666 ' CE1' HG21 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -128.57 99.48 5.39 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.606 1.191 . . . . 0.0 109.659 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.451 ' O ' HD22 ' A' ' 61' ' ' LEU . 0.9 OUTLIER -76.13 -32.96 59.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.66 110.22 0.1 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 2.0 mm? -69.66 158.42 35.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.276 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.44 122.43 15.59 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 3.5 m-85 -122.34 34.56 5.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.941 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.49 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . . . -138.12 128.56 26.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.75 86.54 3.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.409 1.068 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 164.08 -30.96 0.25 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.49 ' CD ' ' HB3' ' A' ' 64' ' ' ALA . 2.5 mp0 -78.25 111.28 14.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 0.3 OUTLIER -105.62 172.52 6.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -121.38 171.15 8.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.6 m -144.64 153.57 41.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 55.6 p -144.76 162.98 35.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.971 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.558 ' O ' HD11 ' A' ' 56' ' ' LEU . 6.4 m -115.8 110.83 19.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.778 ' CB ' HD11 ' A' ' 23' ' ' ILE . 4.5 m-30 -95.5 58.62 2.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 m -80.41 -65.96 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.19 122.52 70.51 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 106.23 2.23 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.537 1.809 . . . . 0.0 111.007 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.56 -152.08 5.93 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.546 1.154 . . . . 0.0 111.017 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 m -136.06 100.22 4.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 0.765 . . . . 0.0 110.361 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.789 ' HE2' HG22 ' A' ' 52' ' ' THR . 78.5 m-85 -95.37 137.02 35.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.7 p -122.0 108.73 13.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.376 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.599 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 32.7 p90 -111.06 129.01 56.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 0.0 111.013 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.854 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -133.55 -179.43 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.945 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 86' ' ' HIS . 0.5 OUTLIER -93.15 133.88 35.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 108.305 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.506 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 4.5 mt-10 -51.17 -51.62 66.44 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.568 1.168 . . . . 0.0 110.264 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -74.97 -17.03 19.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.481 1.779 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.621 ' CE1' HD13 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -131.07 65.8 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.618 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.558 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 12.3 mtp180 -86.08 -51.46 6.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 110.256 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -121.33 38.95 2.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -97.99 -40.11 8.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 154.81 -32.56 0.68 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.56 1.162 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -83.21 98.72 9.53 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.446 0.733 . . . . 0.0 110.943 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 93' ' ' GLY . 54.2 t -146.47 165.48 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.482 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -126.72 155.29 19.56 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.428 1.08 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.38 109.08 8.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 0.732 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.587 HG11 ' CE2' ' A' ' 73' ' ' PHE . 2.2 t -97.44 147.27 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.1 t -145.49 116.87 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 24' ' ' LYS . 19.9 t -102.4 149.54 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 1.003 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 53.3 m -137.84 129.74 28.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.799 HG22 ' HD2' ' A' ' 18' ' ' PRO . 61.2 t -126.85 145.25 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -114.62 128.84 56.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.51 ' HE1' ' HB3' ' A' ' 31' ' ' TRP . 3.2 ptp -93.57 45.77 1.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.451 ' O ' ' ND2' ' A' ' 34' ' ' ASN . . . 162.09 97.66 0.12 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.52 1.138 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.7 p -48.43 148.95 1.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 109.972 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.71 59.92 1.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.6 -62.1 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.987 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.82 44.19 0.02 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.569 1.168 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.93 124.49 13.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 0.792 . . . . 0.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.994 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -76.14 99.9 4.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.3 m -138.49 153.7 26.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.674 ' CD1' ' HE2' ' A' ' 91' ' ' MET . 11.2 m-85 -103.84 101.8 11.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 111.052 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.511 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.9 tt0 -136.33 137.2 23.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.343 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.799 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.0 Cg_endo -75.03 133.53 31.82 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.946 -2.522 . . . . 0.0 110.96 0.093 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.436 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 56.4 p -54.91 -36.0 64.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.459 1.099 . . . . 0.0 110.005 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.1 m -123.54 120.83 34.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.452 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.795 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.3 m -126.78 128.89 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.3 m -120.19 116.31 25.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.95 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.1 pt -121.39 -179.28 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -75.37 175.91 7.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.594 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -98.13 102.67 14.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 135.76 -22.64 3.46 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.496 1.122 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.35 -179.35 4.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.743 . . . . 0.0 110.276 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.51 177.79 6.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.003 HG22 ' HB3' ' A' ' 3' ' ' ALA . 24.7 t -138.51 155.43 28.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 4' ' ' THR . 12.2 ttpt -134.96 136.21 42.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.207 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.559 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 22.7 m-90 -107.84 126.28 52.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 108.027 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.1 t -104.08 128.28 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -88.51 153.77 20.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.234 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 8' ' ' GLY . 6.3 m-20 -131.61 -73.31 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.1 176.81 9.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.994 HD13 ' HB3' ' A' ' 14' ' ' LEU . 1.3 mt 72.06 69.43 0.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.561 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -110.69 163.63 16.79 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.728 ' HB2' HD12 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -74.93 162.31 93.08 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.023 -2.49 . . . . 0.0 111.052 -0.105 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.61 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -133.2 124.34 27.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.594 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.464 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.4 OUTLIER -119.58 163.57 17.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.232 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mt -128.01 99.8 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -106.59 120.51 57.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.608 ' CD1' ' HB3' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -92.28 103.45 15.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.859 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -79.67 106.07 11.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' ALA . . . -39.8 97.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -131.7 72.59 1.5 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.44 -12.55 9.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.693 HG11 ' CE2' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -122.17 179.63 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.524 0.779 . . . . 0.0 109.339 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.446 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -74.98 149.65 39.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.356 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -64.98 -50.64 65.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.493 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 12.7 m-20 -55.29 -52.28 63.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.752 HG22 ' HE2' ' A' ' 79' ' ' TYR . 1.3 m -57.55 -30.41 65.2 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.411 1.07 . . . . 0.0 110.378 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -86.45 -18.83 30.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -61.26 -51.46 68.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.28 -52.73 14.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.422 HD11 ' O ' ' A' ' 72' ' ' THR . 0.1 OUTLIER -50.2 -33.85 20.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 76.6 p -77.37 149.23 35.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 110.049 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.484 ' O ' HG13 ' A' ' 42' ' ' VAL . 37.7 m-70 -120.04 -179.81 4.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.692 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.401 ' O ' HD22 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -166.37 -50.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -40.59 99.23 0.01 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.467 1.104 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.728 HD12 ' HB2' ' A' ' 38' ' ' PRO . 2.2 mm? -52.99 155.1 2.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 0.745 . . . . 0.0 109.337 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -129.76 137.53 50.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.413 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 4.6 m-85 -127.85 45.39 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.92 100.24 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.86 82.39 0.2 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.67 -35.28 0.1 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.451 1.095 . . . . 0.0 110.955 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.14 160.34 30.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 0.759 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 3.3 p -145.19 133.27 21.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.011 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -78.65 166.42 22.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 53.7 m -132.29 160.6 35.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.358 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.415 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 5.6 t -145.55 147.08 31.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . 1.026 HG22 HG23 ' A' ' 74' ' ' THR . 99.4 m -92.7 128.15 38.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.156 . . . . 0.0 110.382 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.7 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 3.2 m-85 -117.46 41.59 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . 1.026 HG23 HG22 ' A' ' 72' ' ' THR . 61.3 p -67.72 -70.23 0.27 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.427 1.08 . . . . 0.0 110.414 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.404 ' N ' ' OG1' ' A' ' 74' ' ' THR . 8.2 tt0 -67.99 132.18 92.17 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 125.79 9.57 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.42 1.747 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -166.18 -161.08 14.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.5 m -133.22 94.48 3.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 0.76 . . . . 0.0 110.413 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.752 ' HE2' HG22 ' A' ' 52' ' ' THR . 74.6 m-85 -93.08 138.13 31.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 111.054 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.5 m -121.4 109.44 14.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 110.375 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.597 ' OH ' HG11 ' A' ' 5' ' ' VAL . 30.4 p90 -112.76 138.78 49.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.14 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.859 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -145.07 -179.8 6.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.591 ' HG ' ' CE1' ' A' ' 86' ' ' HIS . 0.6 OUTLIER -78.86 120.1 22.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 108.332 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.547 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -46.32 -49.05 44.63 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.08 -57.86 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.591 ' CE1' ' HG ' ' A' ' 83' ' ' CYS . 0.5 OUTLIER -82.06 53.08 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.61 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.559 ' HG3' ' CD1' ' A' ' 82' ' ' TYR . 14.3 ttp-105 -91.63 33.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.336 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 169.51 56.15 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -144.04 -53.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.43 39.99 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.444 1.09 . . . . 0.0 110.972 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.674 ' HE2' ' CD1' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -144.57 99.13 3.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.595 0.82 . . . . 0.0 110.999 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 93' ' ' GLY . 45.7 t -145.81 165.18 10.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.484 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -148.63 149.36 21.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.571 1.169 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.93 108.11 7.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.75 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.7 HG21 ' HZ ' ' A' ' 73' ' ' PHE . 1.5 t -89.81 152.7 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.3 t -145.98 105.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.665 HG22 ' CD2' ' A' ' 73' ' ' PHE . 37.3 t -89.4 145.03 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.594 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.991 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.0 m -93.01 126.81 38.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.464 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.839 HG22 ' HD2' ' A' ' 18' ' ' PRO . 24.6 t -137.92 104.42 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.15 124.43 33.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.4 ptt? -83.84 45.49 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 174.87 158.21 18.31 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.478 ' OG ' ' CG2' ' A' ' 15' ' ' VAL . 10.9 m -105.02 138.72 40.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 0.809 . . . . 0.0 109.96 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -74.78 62.45 1.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.07 -63.03 0.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 110.014 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.99 44.36 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.455 1.097 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.4 162.16 37.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.761 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.639 HD13 ' CD2' ' A' ' 86' ' ' HIS . 0.5 OUTLIER -110.75 101.9 10.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.478 ' CG2' ' OG ' ' A' ' 9' ' ' SER . 12.1 m -143.29 177.65 2.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.417 1.073 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.544 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 61.6 m-85 -121.95 119.47 31.61 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.471 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.7 OUTLIER -145.3 130.55 9.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.266 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.839 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.2 Cg_endo -74.99 136.57 45.84 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.014 -2.494 . . . . 0.0 110.995 -0.027 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.2 p -55.35 -35.1 64.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.068 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.4 m -132.24 141.4 49.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.393 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.659 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -142.86 153.27 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.2 m -131.85 100.99 5.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.391 1.057 . . . . 0.0 110.432 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.917 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.4 pp -110.46 -179.45 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.742 ' O ' HD12 ' A' ' 23' ' ' ILE . 21.6 mttt -76.35 179.79 5.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.431 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -100.76 104.71 15.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 119.99 11.63 6.87 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.753 ' HB3' HD13 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -94.51 -179.86 5.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 0.735 . . . . 0.0 110.27 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.435 ' CD ' ' O ' ' A' ' 71' ' ' SER . 3.3 tp10 -122.29 146.14 47.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.991 HG22 ' HB3' ' A' ' 3' ' ' ALA . 16.1 t -121.76 128.02 75.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.441 ' CG ' ' HB3' ' A' ' 68' ' ' SER . 1.3 ttmp? -99.95 149.47 23.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.579 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 5.2 m-90 -123.5 128.53 49.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 108.018 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.1 t -87.92 134.49 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.38 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -77.78 119.78 21.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -101.61 -173.78 2.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.779 ' C ' HD12 ' A' ' 36' ' ' LEU . 3.2 mmmt -79.97 178.86 7.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.779 HD12 ' C ' ' A' ' 35' ' ' LYS . 2.0 mp 75.45 34.18 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.382 1.051 . . . . 0.0 109.26 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.5 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -68.38 160.98 73.1 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.945 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.581 ' HB2' HD12 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -75.0 150.8 96.04 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 121.047 -2.48 . . . . 0.0 110.983 -0.018 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -132.18 100.76 5.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 109.589 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.779 ' HB3' HD13 ' A' ' 61' ' ' LEU . 11.8 p-10 -100.14 177.19 5.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.238 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.504 HD13 ' CG ' ' A' ' 31' ' ' TRP . 7.3 mt -137.35 103.32 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -106.82 125.55 62.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.613 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -100.48 95.82 6.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.954 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.797 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -75.19 127.38 33.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.14 95.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' ALA . 52.9 t0 -119.46 52.81 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.09 -9.13 7.08 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.667 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -120.57 176.58 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.463 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -75.95 141.57 42.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.903 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.07 -28.06 69.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.389 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.421 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 16.3 m-20 -69.08 -60.72 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.497 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -59.27 -24.85 63.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.413 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.42 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -85.06 -20.92 29.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -64.31 -52.52 58.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.04 -37.13 78.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.718 HD11 ' O ' ' A' ' 72' ' ' THR . 0.1 OUTLIER -70.67 -22.74 62.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.409 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.1 m -81.18 157.25 25.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.423 ' ND1' ' CD1' ' A' ' 69' ' ' PHE . 65.5 m-70 -134.23 100.27 4.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.59 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -84.55 -53.43 5.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -40.24 105.04 0.05 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.457 1.098 . . . . 0.0 111.05 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.779 HD13 ' HB3' ' A' ' 40' ' ' ASN . 2.4 mm? -50.66 179.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.24 133.78 22.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 109.232 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.574 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 11.1 m-85 -130.54 39.42 3.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.29 127.63 19.87 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.43 77.88 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.21 -33.58 0.1 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -74.54 151.59 39.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 110.321 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 67.1 m -135.54 139.52 44.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.423 ' CD1' ' ND1' ' A' ' 58' ' ' HIS . 0.8 OUTLIER -81.32 170.51 15.94 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.93 144.67 35.31 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.423 1.077 . . . . 0.0 110.409 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.435 ' O ' ' CD ' ' A' ' 28' ' ' GLU . 1.3 p -141.78 160.31 40.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.718 ' O ' HD11 ' A' ' 56' ' ' LEU . 13.7 m -110.48 127.66 55.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.393 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.685 ' CB ' HD11 ' A' ' 23' ' ' ILE . 4.6 m-30 -106.34 52.4 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.6 m -72.28 -61.34 1.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 110.447 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.26 119.49 62.46 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.421 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.1 Cg_endo -75.08 106.22 2.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.79 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.0 -148.57 5.09 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 51.5 m -138.48 99.3 3.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 0.728 . . . . 0.0 110.453 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.682 ' CE2' HD13 ' A' ' 56' ' ' LEU . 69.1 m-85 -89.71 145.43 25.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 111.083 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.6 m -129.9 111.93 13.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.355 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.613 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 29.5 p90 -114.11 139.33 49.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.797 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -137.1 177.91 7.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.951 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 1.28 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 94.4 m -82.05 133.04 35.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 108.335 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 1.1 mt-10 -57.18 -50.53 87.65 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.11 -46.52 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.503 1.791 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.639 ' CD2' HD13 ' A' ' 14' ' ' LEU . 1.4 m-70 -93.35 42.81 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.596 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -68.05 -53.28 26.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 110.34 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -110.15 52.45 0.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.39 -41.8 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 138.35 45.05 0.08 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.567 1.167 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' MET . . . . . 1.28 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.3 OUTLIER -144.9 99.65 3.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 111.048 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.539 HG12 ' N ' ' A' ' 93' ' ' GLY . 38.3 t -146.0 169.54 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.539 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -135.71 175.56 20.71 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -144.74 134.87 24.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 0.0 109.246 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.585 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 2.1 t -120.86 148.61 23.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.6 t -138.51 113.69 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.548 HG22 ' CD2' ' A' ' 73' ' ' PHE . 89.2 t -96.31 142.08 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.431 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 1.027 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.9 m -131.26 149.55 52.52 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 0.0 110.369 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 31' ' ' TRP . 95.4 t -144.14 111.61 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.356 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -87.76 137.38 32.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.463 ' HB3' ' HE3' ' A' ' 7' ' ' MET . 11.9 tmm? -111.24 121.09 44.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 111.014 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 9' ' ' SER . . . 84.95 91.73 0.8 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.431 1.082 . . . . 0.0 111.008 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 8' ' ' GLY . 80.9 p -38.25 151.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 0.735 . . . . 0.0 110.024 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -74.79 58.53 0.83 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.47 -65.02 0.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.041 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.16 45.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.556 1.16 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.11 120.09 10.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.702 HD13 ' ND1' ' A' ' 86' ' ' HIS . 0.5 OUTLIER -75.59 100.91 4.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.2 m -144.94 135.3 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.592 1.182 . . . . 0.0 109.218 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.572 ' CE2' ' HG2' ' A' ' 91' ' ' MET . 93.2 m-85 -84.93 117.75 24.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 2.4 mt-10 -145.33 126.18 7.44 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.509 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.0 134.8 37.6 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.998 -2.501 . . . . 0.0 111.048 -0.069 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.9 p -64.3 -29.74 70.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.952 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.7 m -124.57 124.69 42.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.509 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -133.46 138.07 51.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.225 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -126.15 101.41 6.75 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 0.0 110.389 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.89 HG21 ' HB2' ' A' ' 3' ' ' ALA . 2.0 pt -111.62 -178.57 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.157 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -73.69 177.24 5.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.585 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -99.02 91.51 5.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 145.66 -16.47 1.81 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.465 1.103 . . . . 0.0 111.047 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.505 ' HB3' HD12 ' A' ' 23' ' ' ILE . 3.2 tt0 -75.19 179.22 5.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.754 . . . . 0.0 110.315 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -123.95 153.88 40.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.027 HG22 ' HB3' ' A' ' 3' ' ' ALA . 10.7 t -127.25 129.24 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -99.29 148.35 24.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.436 ' O ' ' HA ' ' A' ' 68' ' ' SER . 5.0 m-90 -115.64 101.54 8.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 1.146 . . . . 0.0 107.986 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 11.5 t -85.99 148.46 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -121.3 171.82 8.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.245 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -152.61 -69.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.581 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -131.04 -179.71 5.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.601 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 2.3 mm? 66.38 69.95 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.582 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -131.1 164.27 43.44 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.985 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.582 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.02 163.84 89.77 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.963 -2.515 . . . . 0.0 111.032 -0.036 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.601 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -145.39 135.63 23.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 109.625 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -105.94 175.18 5.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 74.9 mt -142.43 99.22 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.426 ' CG1' ' HG2' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -112.75 122.42 66.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.615 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -92.97 100.71 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 111.042 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.987 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -75.96 132.19 40.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.0 91.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -119.16 78.0 1.25 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.17 -26.53 16.68 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.831 HG11 ' CE1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -101.15 -179.75 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.581 0.813 . . . . 0.0 109.359 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.521 ' O ' HG13 ' A' ' 48' ' ' VAL . 2.9 m-20 -74.86 167.74 21.28 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.54 -69.96 0.5 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.633 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 2.2 m-20 -41.47 -47.12 3.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.517 HG22 ' HE1' ' A' ' 79' ' ' TYR . 1.6 m -53.53 -53.72 47.54 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.115 . . . . 0.0 110.451 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -66.61 -22.34 66.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -65.68 -27.2 68.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.48 -38.24 14.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.611 HD12 ' CE1' ' A' ' 79' ' ' TYR . 4.8 mt -74.15 -22.06 59.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 53' ' ' ALA . 23.2 m -74.22 137.8 43.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -114.96 99.51 7.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.644 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.426 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 4.8 mtpm? -101.41 52.57 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.605 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -108.23 -154.09 17.39 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.834 HD12 ' CE1' ' A' ' 63' ' ' PHE . 0.5 OUTLIER -140.2 111.14 6.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.19 99.9 10.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.834 ' CE1' HD12 ' A' ' 61' ' ' LEU . 3.7 m-85 -132.88 41.87 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.03 116.8 8.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.99 87.45 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.86 44.08 0.16 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.92 143.33 48.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 0.726 . . . . 0.0 110.365 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 32.3 p -144.07 133.86 23.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.025 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.418 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 4.2 m-85 -76.72 -179.81 5.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 p -142.51 141.31 32.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.366 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.3 t -128.25 142.96 51.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.033 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 29.1 m -94.01 96.35 9.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.354 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.594 ' CD2' HD11 ' A' ' 23' ' ' ILE . 3.8 m-30 -82.42 56.8 3.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.6 m -85.23 -64.13 1.21 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.89 126.85 88.12 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 115.62 4.34 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -170.09 -147.11 5.39 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.3 m -144.02 112.13 6.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 0.785 . . . . 0.0 110.397 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.831 ' CE1' HG11 ' A' ' 48' ' ' VAL . 96.1 m-85 -104.63 142.91 33.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.4 m -118.87 110.08 16.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.083 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.573 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 52.0 p90 -105.29 134.77 47.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.987 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -145.9 -179.29 6.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 0.0 110.985 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 1.041 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 8.4 m -85.31 147.09 26.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 108.328 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.517 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 2.1 mt-10 -70.1 -50.81 15.4 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.97 -45.46 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.786 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.702 ' ND1' HD13 ' A' ' 14' ' ' LEU . 26.5 m170 -92.02 38.38 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 109.636 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 87' ' ' ARG . 5.3 ttp-105 -65.39 -59.39 4.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 110.329 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.23 69.42 0.3 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.27 -47.35 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 0.81 . . . . 0.0 109.292 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 147.07 44.71 0.03 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.577 1.173 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' MET . . . . . 1.041 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.7 OUTLIER -145.17 98.88 3.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.405 0.709 . . . . 0.0 110.995 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.544 HG12 ' N ' ' A' ' 93' ' ' GLY . 40.7 t -146.54 169.56 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.544 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -142.72 156.46 26.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.23 143.4 50.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 0.794 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.544 ' CG1' ' CE2' ' A' ' 73' ' ' PHE . 40.8 t -122.79 146.91 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.6 t -138.99 102.65 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.379 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.493 HG22 ' CD2' ' A' ' 73' ' ' PHE . 32.8 t -99.16 140.49 18.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.585 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 1.8 t0 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.919 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 99.0 m -141.65 137.96 32.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.356 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.645 HG11 ' OH ' ' A' ' 81' ' ' TYR . 46.8 t -144.35 109.11 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.212 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -74.63 142.41 44.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.452 ' HE3' ' HB3' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -95.88 89.47 5.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 9' ' ' SER . . . 93.13 127.41 4.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 8' ' ' GLY . 0.8 OUTLIER -43.06 166.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 110.01 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.417 ' O ' ' HB3' ' A' ' 11' ' ' SER . 10.9 p30 -73.17 67.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.417 ' HB3' ' O ' ' A' ' 10' ' ' ASP . 35.7 t 66.85 99.62 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.989 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.13 -65.59 0.2 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.31 133.64 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.526 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -75.42 99.79 4.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.0 m -145.26 133.23 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.137 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.507 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 82.8 m-85 -79.15 116.0 19.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.452 1.095 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.458 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -141.24 126.23 10.76 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 110.318 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.634 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.0 130.19 20.64 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.039 -2.484 . . . . 0.0 111.0 0.037 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.426 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 84.7 p -37.86 -39.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.08 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 94' ' ' LYS . 7.3 t -151.36 157.93 43.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.427 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.838 HG21 ' HB1' ' A' ' 3' ' ' ALA . 0.8 OUTLIER -139.77 168.34 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.361 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.489 HG23 HG12 ' A' ' 96' ' ' VAL . 18.7 m -133.78 103.17 5.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.423 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.919 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 6.8 pt -109.96 -179.83 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.436 ' O ' HG13 ' A' ' 97' ' ' VAL . 5.6 mmtt -75.05 178.04 5.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.469 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -97.43 93.71 6.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.361 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.0 -19.11 2.15 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.795 ' HB3' HD12 ' A' ' 23' ' ' ILE . 2.3 tt0 -76.15 -179.85 5.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 0.733 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -124.97 -179.5 4.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.941 HG21 ' CE2' ' A' ' 73' ' ' PHE . 38.4 t -131.86 162.56 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.583 1.177 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.445 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 1.5 tttp -137.8 131.46 31.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.338 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.561 ' CD1' HD13 ' A' ' 41' ' ' ILE . 10.5 m-90 -105.54 156.52 18.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 108.008 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.5 t -140.0 129.66 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -95.14 150.83 19.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.584 1.177 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -131.88 -77.01 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.11 176.54 9.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.526 HD13 ' HB3' ' A' ' 14' ' ' LEU . 0.4 OUTLIER 80.0 45.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.566 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -91.89 163.94 25.7 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.969 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.566 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.01 164.39 88.51 Favored 'Cis proline' 0 C--N 1.359 1.104 0 C-N-CA 121.049 -2.48 . . . . 0.0 110.962 0.008 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.643 ' H ' ' HB3' ' A' ' 62' ' ' ALA . 0.7 OUTLIER -139.23 137.55 36.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -124.53 172.64 9.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.631 HG22 ' CE1' ' A' ' 43' ' ' PHE . 9.8 mt -139.66 99.27 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -111.41 126.85 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.631 ' CE1' HG22 ' A' ' 41' ' ' ILE . 2.4 m-85 -95.1 103.18 15.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.593 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -79.46 101.45 8.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.78 97.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.2 m-20 -124.39 85.28 2.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.99 -34.18 5.59 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.57 1.169 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.045 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -89.49 -178.86 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.792 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.524 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -74.06 169.18 18.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.62 -59.78 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.641 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -52.37 -54.77 27.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.507 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 16.4 m -46.37 -61.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.438 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.495 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -56.3 -34.2 66.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -58.41 -21.91 52.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.13 -30.03 16.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.241 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.605 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 5.7 mp -92.09 -1.43 57.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.542 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -83.83 119.76 25.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 110.006 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 3.5 m-70 -94.5 170.28 9.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.59 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.21 52.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.485 ' HA3' ' CZ ' ' A' ' 69' ' ' PHE . . . -107.13 138.7 14.62 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -86.69 128.83 35.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 0.792 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.643 ' HB3' ' H ' ' A' ' 39' ' ' HIS . . . -89.87 120.21 30.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.513 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 8.7 m-85 -146.86 -45.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.601 1.188 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.55 116.14 27.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.44 92.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.165 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.17 44.98 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.024 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.16 100.98 7.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 110.241 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 10.2 p -108.82 125.54 52.08 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 32.4 m-85 -92.9 173.1 7.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.805 HG23 ' O ' ' A' ' 29' ' ' VAL . 11.2 m -145.96 149.89 35.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.5 t -138.34 144.57 40.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.929 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.574 ' O ' HD11 ' A' ' 56' ' ' LEU . 18.8 m -93.51 107.26 19.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.941 ' CE2' HG21 ' A' ' 29' ' ' VAL . 5.9 m-30 -91.61 50.85 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.6 m -70.68 -64.47 0.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.404 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -62.1 122.86 75.24 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 123.09 7.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 177.64 -138.69 3.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.433 1.083 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.0 t -145.18 130.38 18.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 110.371 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 1.045 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 93.2 m-85 -126.84 113.37 16.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 61.3 p -95.14 118.69 32.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.645 ' OH ' HG11 ' A' ' 5' ' ' VAL . 36.8 p90 -119.49 142.28 48.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.593 ' CZ ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -141.19 179.91 6.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.41 ' SG ' ' ND1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER -79.62 146.77 32.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 108.362 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.499 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -73.28 -51.86 5.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.266 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -74.89 -49.48 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.538 1.809 . . . . 0.0 111.057 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -91.12 46.58 1.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.633 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.405 ' NH1' ' HB3' ' A' ' 87' ' ' ARG . 16.0 ttp-105 -67.97 -55.46 12.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.91 60.67 0.34 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.58 1.175 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.14 -46.08 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 144.83 43.76 0.04 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.507 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -145.44 100.18 3.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.623 0.837 . . . . 0.0 111.047 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 93' ' ' GLY . 97.2 t -142.92 165.98 15.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.515 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -136.43 174.48 21.5 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 20' ' ' THR . 2.2 tttp -144.99 148.52 33.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 109.327 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.713 HG13 ' CE2' ' A' ' 73' ' ' PHE . 40.5 t -127.19 144.35 37.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.489 HG12 HG23 ' A' ' 22' ' ' THR . 7.3 t -138.39 120.36 17.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.435 1.084 . . . . 0.0 109.263 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.492 HG11 ' O ' ' A' ' 73' ' ' PHE . 48.8 t -121.76 139.61 48.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.469 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 1.073 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.9 m -90.52 125.4 35.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.404 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.59 ' CG2' HG11 ' A' ' 21' ' ' VAL . 21.5 t -143.5 100.43 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.368 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -87.45 135.22 33.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.623 ' SD ' HD11 ' A' ' 41' ' ' ILE . 1.0 OUTLIER -75.37 -121.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 9' ' ' SER . . . -43.83 122.82 4.33 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.417 1.073 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 8' ' ' GLY . 83.6 p -43.13 165.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.967 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -74.59 68.71 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.22 95.04 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.068 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.51 -71.2 0.14 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.82 132.41 20.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.772 . . . . 0.0 109.268 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.04 99.99 4.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.4 m -145.15 141.97 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.57 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 71.5 m-85 -80.01 124.98 29.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.568 1.167 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -137.99 131.82 16.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 110.276 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.893 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.6 Cg_endo -74.94 132.61 28.12 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 121.001 -2.499 . . . . 0.0 111.034 -0.059 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.429 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 38.0 p -42.64 -37.02 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.5 m -133.39 117.73 17.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.374 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.893 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -114.64 144.77 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.461 HG23 HG12 ' A' ' 96' ' ' VAL . 17.3 m -133.4 103.71 6.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 1.022 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.1 pt -111.55 176.83 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.481 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -74.92 173.63 10.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.355 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.93 131.07 38.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.94 -11.97 57.52 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.37 178.19 7.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 0.799 . . . . 0.0 110.346 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 28' ' ' GLU . 8.7 mp0 -121.4 179.8 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.073 HG22 ' HB3' ' A' ' 3' ' ' ALA . 2.4 t -139.09 160.11 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 2.1 ttmt -129.71 152.12 49.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.571 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 11.1 m-90 -123.11 154.69 38.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 108.038 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.8 t -138.54 114.87 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.663 ' ND2' ' HB1' ' A' ' 62' ' ' ALA . 32.0 t30 -87.03 135.74 33.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -111.09 -87.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.244 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.529 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.3 mttt -131.43 179.47 6.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 109.238 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 35' ' ' LYS . 0.8 OUTLIER 76.2 54.07 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.516 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -94.78 161.17 29.53 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 110.007 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.516 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.96 156.81 99.89 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.97 -2.513 . . . . 0.0 111.066 -0.031 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.821 ' H ' ' HB3' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -136.81 99.65 4.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.669 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -94.96 175.94 6.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.69 HG22 ' CE1' ' A' ' 43' ' ' PHE . 3.0 mt -134.6 98.49 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.246 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.423 HG13 ' CG ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -108.37 127.1 64.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 0.0 109.291 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.69 ' CE1' HG22 ' A' ' 41' ' ' ILE . 2.2 m-85 -98.04 113.02 24.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.483 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -92.38 109.44 20.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.2 96.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 44' ' ' ALA . 27.4 t70 -122.49 80.44 1.73 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.83 -33.68 5.63 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.583 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -91.37 179.41 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.265 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.443 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -77.29 138.03 39.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.411 1.069 . . . . 0.0 109.311 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' ASP . . . -51.91 -67.77 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.868 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -40.33 -53.69 2.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.771 HG22 ' HE2' ' A' ' 79' ' ' TYR . 2.0 m -49.81 -68.35 0.18 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.49 1.119 . . . . 0.0 110.37 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.539 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -51.91 -23.33 4.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.868 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -63.21 -37.72 88.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.13 -33.17 56.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.67 HD21 ' O ' ' A' ' 72' ' ' THR . 6.8 mp -85.2 -1.21 56.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.385 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.57 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -84.32 117.02 23.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.984 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.505 ' HE2' ' H ' ' A' ' 70' ' ' THR . 1.1 m-70 -94.55 166.39 12.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.565 1.166 . . . . 0.0 109.632 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -173.04 63.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -118.3 129.69 8.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.715 HD11 ' CD1' ' A' ' 63' ' ' PHE . 1.8 tm? -58.61 134.51 56.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.821 ' HB3' ' H ' ' A' ' 39' ' ' HIS . . . -110.97 99.2 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.715 ' CD1' HD11 ' A' ' 61' ' ' LEU . 1.4 m-85 -145.58 28.6 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 0.0 111.099 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 66' ' ' GLY . . . -142.46 119.79 11.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.38 77.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 153.29 44.35 0.02 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.71 135.61 50.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 0.772 . . . . 0.0 110.272 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.4 m -143.72 122.76 12.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.987 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.421 ' HB3' ' NE2' ' A' ' 58' ' ' HIS . 14.2 m-85 -98.3 174.26 6.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 111.022 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.505 ' H ' ' HE2' ' A' ' 58' ' ' HIS . 12.6 m -143.57 151.15 39.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.366 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.7 t -138.23 158.89 43.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.67 ' O ' HD21 ' A' ' 56' ' ' LEU . 5.6 m -105.19 111.78 24.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.693 ' CE2' HG13 ' A' ' 95' ' ' VAL . 3.8 m-30 -102.65 62.12 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.584 HG23 HG22 ' A' ' 72' ' ' THR . 1.3 p -82.07 -62.57 1.59 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.419 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.1 126.42 92.74 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.355 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.94 111.25 3.28 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.449 1.763 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -165.36 -145.71 4.52 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.7 m -143.22 113.95 7.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 110.373 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.771 ' HE2' HG22 ' A' ' 52' ' ' THR . 80.8 m-85 -104.1 108.23 19.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 21.7 m -85.64 103.4 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.419 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.43 ' CE2' ' CD1' ' A' ' 16' ' ' PHE . 27.0 p90 -112.74 149.47 32.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 111.05 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.585 ' HB3' HG13 ' A' ' 92' ' ' VAL . 0.3 OUTLIER -144.19 -179.67 6.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.964 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.572 ' CB ' ' HD2' ' A' ' 86' ' ' HIS . 3.7 m -79.48 142.93 35.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 108.312 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.528 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -76.13 -50.12 3.06 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.566 1.166 . . . . 0.0 110.295 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -75.0 0.25 9.14 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.572 ' HD2' ' CB ' ' A' ' 83' ' ' CYS . 3.3 m-70 -143.23 49.23 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.624 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.3 ptt85 -95.33 52.99 1.45 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.082 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 161.85 51.62 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.483 1.115 . . . . 0.0 111.051 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.89 -46.8 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.761 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 142.33 45.12 0.05 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.12 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.57 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 6.2 ttt -140.9 99.41 3.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.585 HG13 ' HB3' ' A' ' 82' ' ' TYR . 30.2 t -145.81 159.25 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -116.89 178.2 17.07 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.502 1.126 . . . . 0.0 110.934 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -145.35 99.14 3.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.254 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.693 HG13 ' CE2' ' A' ' 73' ' ' PHE . 5.0 t -79.03 147.9 6.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.461 HG12 HG23 ' A' ' 22' ' ' THR . 8.4 t -144.04 123.29 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.62 HG22 ' CD2' ' A' ' 73' ' ' PHE . 41.6 t -120.82 137.19 55.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.973 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 1.053 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 92.0 m -97.23 118.41 33.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.6 t -136.93 159.4 36.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.357 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -138.55 162.62 34.1 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.477 ' O ' ' HE3' ' A' ' 91' ' ' MET . 9.4 ptp -91.39 -29.07 17.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -133.71 -179.28 16.23 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 m -107.26 144.08 34.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.767 . . . . 0.0 109.976 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -76.31 57.54 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.588 1.18 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.04 -75.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.99 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.06 44.0 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.11 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.92 123.83 12.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.728 HD12 ' SD ' ' A' ' 91' ' ' MET . 1.4 pp -79.76 99.52 7.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.398 1.061 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.7 m -145.29 167.03 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.429 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 33.0 m-85 -107.73 114.11 27.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 11.0 tt0 -145.37 129.57 8.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.363 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.606 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.06 129.1 17.77 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.005 0.068 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.476 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 60.4 p -55.52 -39.14 70.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.016 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.1 m -123.05 133.48 54.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.409 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.606 HG12 ' HG2' ' A' ' 18' ' ' PRO . 3.1 m -135.69 153.7 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.4 m -133.87 102.06 5.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.442 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 1.001 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.1 pt -111.19 -179.62 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.534 ' O ' HD12 ' A' ' 23' ' ' ILE . 15.7 mttt -81.01 178.46 8.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.678 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -98.04 88.99 4.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 146.52 -16.8 1.65 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.98 -179.76 4.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.753 . . . . 0.0 110.331 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -124.88 171.9 9.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.226 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.053 HG22 ' HB3' ' A' ' 3' ' ' ALA . 4.4 t -130.09 149.37 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -123.42 139.88 53.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -119.4 119.66 34.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 0.0 107.988 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.0 t -87.94 141.94 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -77.44 136.34 38.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -134.6 -179.0 5.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 177.89 6.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER 78.67 47.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.944 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.545 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -89.31 162.66 36.48 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.545 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.92 164.56 88.07 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.049 -0.111 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.701 ' H ' ' HB3' ' A' ' 62' ' ' ALA . 0.6 OUTLIER -139.84 99.93 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.179 . . . . 0.0 109.522 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -88.45 178.41 6.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.731 HG21 ' NE2' ' A' ' 58' ' ' HIS . 95.3 mt -144.01 101.03 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.741 HG13 ' HG2' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -114.5 120.91 65.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 109.324 179.947 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.584 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -94.59 100.73 12.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.542 1.151 . . . . 0.0 110.986 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.85 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -76.21 106.29 7.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.422 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -50.1 95.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.8 OUTLIER -111.22 76.19 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.27 -25.45 12.49 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.813 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 1.3 p -94.49 175.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 0.776 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.509 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -74.74 131.69 41.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.58 -46.3 70.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.18 . . . . 0.0 109.378 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.835 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 1.0 OUTLIER -49.68 -54.98 15.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.26 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.642 HG21 ' OH ' ' A' ' 79' ' ' TYR . 27.2 m -55.46 -66.47 0.41 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.443 1.089 . . . . 0.0 110.393 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -42.9 -28.6 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.835 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -61.96 -70.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.14 -29.88 58.65 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.821 HD12 ' CE1' ' A' ' 79' ' ' TYR . 6.3 mt -73.45 -32.05 64.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 53' ' ' ALA . 97.4 p -76.81 144.83 38.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.731 ' NE2' HG21 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -137.03 99.42 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.591 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.741 ' HG2' HG13 ' A' ' 42' ' ' VAL . 16.8 mttt -85.3 56.09 3.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -88.53 151.07 22.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -86.27 135.85 33.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 109.389 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.701 ' HB3' ' H ' ' A' ' 39' ' ' HIS . . . -109.78 112.48 24.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -140.15 -46.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.1 117.65 25.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.63 109.86 6.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.8 -20.53 2.17 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.552 1.157 . . . . 0.0 111.047 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -83.52 115.38 22.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 0.804 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.9 m -108.39 155.51 20.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 110.051 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -107.58 170.03 8.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.045 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 28.8 m -142.91 152.6 42.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.443 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.466 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 35.5 p -143.19 161.48 38.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.579 ' O ' HD21 ' A' ' 56' ' ' LEU . 22.4 m -115.72 110.47 19.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.44 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.715 ' CB ' HD11 ' A' ' 23' ' ' ILE . 5.6 m-30 -93.83 49.75 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 m -70.59 -55.9 7.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 110.465 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.56 123.15 88.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.265 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 128.17 11.28 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.547 1.814 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -177.1 -150.86 8.62 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.499 1.124 . . . . 0.0 111.079 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 m -137.92 92.48 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 0.743 . . . . 0.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.821 ' CE1' HD12 ' A' ' 56' ' ' LEU . 88.3 m-85 -90.85 135.42 33.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 45.7 m -118.52 109.66 16.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.575 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 38.4 p90 -108.82 137.97 45.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.85 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -145.01 -179.67 6.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.449 ' SG ' ' ND1' ' A' ' 39' ' ' HIS . 0.6 OUTLIER -79.31 136.67 37.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.081 . . . . 0.0 108.34 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.483 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -65.1 -52.6 47.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -74.89 -42.23 0.57 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.491 1.785 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.548 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . 2.6 m170 -100.46 49.02 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.626 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -46.09 85.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.28 50.53 0.78 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.548 ' HB3' ' HB3' ' A' ' 86' ' ' HIS . . . -129.88 53.18 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 43.33 42.92 5.78 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.728 ' SD ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -138.87 98.52 3.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 0.774 . . . . 0.0 111.048 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.554 HG12 ' N ' ' A' ' 93' ' ' GLY . 92.9 t -146.54 168.22 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.554 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -141.87 124.03 2.37 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.395 1.059 . . . . 0.0 111.107 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.19 119.82 40.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.626 HG11 ' CE2' ' A' ' 73' ' ' PHE . 3.3 t -107.7 138.86 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.414 1.071 . . . . 0.0 109.386 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.2 t -131.14 112.16 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 45.8 t -103.72 138.79 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.678 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 30.5 m-20 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.988 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 83.3 m -145.13 129.56 17.86 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.84 HG11 ' OH ' ' A' ' 81' ' ' TYR . 71.2 t -129.98 124.39 58.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.33 145.94 35.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.41 ' SD ' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -49.75 -58.83 4.56 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.43 1.081 . . . . 0.0 110.983 -179.967 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -130.14 -102.86 1.0 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.445 ' C ' ' ND2' ' A' ' 34' ' ' ASN . 89.4 p -152.52 156.74 39.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 110.021 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -86.35 69.45 10.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.0 t -162.27 -77.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.929 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.24 39.11 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.69 140.19 36.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.77 . . . . 0.0 109.269 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.796 HD23 ' HG ' ' A' ' 36' ' ' LEU . 1.6 pp -96.04 100.2 11.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.7 m -144.88 132.02 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.555 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 45.6 m-85 -77.67 112.98 15.05 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.45 1.094 . . . . 0.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -142.89 133.2 12.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.962 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.742 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -74.99 132.58 28.03 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.96 0.001 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.435 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 80.0 p -48.62 -36.79 16.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.967 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.4 m -128.51 135.4 49.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.399 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.742 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -138.25 161.53 31.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.9 m -128.42 106.82 9.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.349 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.69 HD13 HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -110.49 145.32 17.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.337 179.931 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.489 ' O ' ' CD1' ' A' ' 23' ' ' ILE . 3.4 mtpp -73.59 169.49 17.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.83 141.63 40.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.48 -9.09 59.67 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.544 1.152 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -80.99 169.39 17.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 110.303 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 28' ' ' GLU . 21.8 pm0 -119.62 164.96 15.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.988 HG22 ' HB3' ' A' ' 3' ' ' ALA . 45.9 t -132.91 131.19 59.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.153 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.427 ' HG2' ' N ' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -105.53 145.1 31.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.279 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.472 ' HZ3' ' HG ' ' A' ' 71' ' ' SER . 3.8 m-90 -122.4 116.45 24.03 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.8 t -84.96 148.26 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.363 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -74.9 158.06 34.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.445 ' ND2' ' C ' ' A' ' 9' ' ' SER . 4.2 m120 -150.46 -174.27 4.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -179.2 4.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.796 ' HG ' HD23 ' A' ' 14' ' ' LEU . 3.2 mm? 66.35 28.71 9.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.374 -179.906 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.515 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -75.12 161.82 75.71 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.53 1.144 . . . . 0.0 109.97 -179.911 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.515 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.01 162.71 92.31 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.04 -2.483 . . . . 0.0 110.961 -0.006 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -130.58 101.23 5.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.564 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 59' ' ' LYS . 3.2 m120 -78.96 168.54 19.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.372 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.41 HD11 ' SD ' ' A' ' 7' ' ' MET . 96.8 mt -142.42 99.38 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.405 HG21 ' HG3' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -115.17 127.32 72.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.595 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -100.95 98.92 9.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.988 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.816 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -74.03 119.07 17.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.57 95.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.405 1.065 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.621 ' O ' HG23 ' A' ' 78' ' ' THR . 0.5 OUTLIER -121.98 87.17 2.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.14 -24.46 32.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.577 1.173 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.514 HG13 ' N ' ' A' ' 49' ' ' ASP . 0.3 OUTLIER -102.25 -179.94 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 109.234 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.514 ' N ' HG13 ' A' ' 48' ' ' VAL . 2.0 m-20 -74.79 169.59 17.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.405 1.066 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -78.04 -65.46 0.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.211 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -49.32 -36.18 20.39 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.496 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 15.7 m -64.62 -38.26 90.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.357 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.91 -8.09 52.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -69.64 -46.3 66.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.415 1.072 . . . . 0.0 109.375 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.33 -51.01 7.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.998 HD21 ' O ' ' A' ' 72' ' ' THR . 0.3 OUTLIER -49.45 -24.56 2.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.412 ' CB ' ' H ' ' A' ' 43' ' ' PHE . 32.0 p -81.83 154.89 25.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -121.19 178.19 4.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.555 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.445 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -151.74 -49.41 0.11 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 179.91 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -40.08 139.49 1.11 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.49 1.119 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.594 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -109.9 128.01 55.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 0.805 . . . . 0.0 109.324 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.436 ' C ' ' CD1' ' A' ' 63' ' ' PHE . . . -95.36 157.31 15.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.393 1.058 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.436 ' CD1' ' C ' ' A' ' 62' ' ' ALA . 2.3 m-85 -136.59 -43.61 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.53 142.09 44.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.243 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.12 61.46 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.59 1.181 . . . . 0.0 109.259 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -178.06 35.38 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -135.97 100.17 4.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.595 0.82 . . . . 0.0 110.298 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 24.0 p -113.36 147.98 36.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.96 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -93.18 176.14 6.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 m -144.62 143.1 30.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 110.366 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.472 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 43.9 p -143.73 154.66 43.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.998 ' O ' HD21 ' A' ' 56' ' ' LEU . 2.3 m -132.0 126.05 33.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 110.419 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.869 ' CD2' HG21 ' A' ' 97' ' ' VAL . 2.8 m-85 -98.12 67.86 1.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 -179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 m -50.11 -36.81 31.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.366 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.416 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 3.9 mt-10 -109.05 135.08 20.21 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 18.2 Cg_endo -75.07 121.68 6.7 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 110.937 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -159.6 -142.51 3.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 78' ' ' THR . 8.7 t -145.15 94.85 2.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 110.442 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.764 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 58.0 m-85 -87.66 132.23 34.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 111.019 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.4 m -119.87 114.58 22.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.429 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.84 ' OH ' HG11 ' A' ' 5' ' ' VAL . 27.3 p90 -117.42 145.5 44.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.036 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.816 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -144.95 -179.76 6.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.434 ' HG ' ' CE1' ' A' ' 86' ' ' HIS . 0.5 OUTLIER -79.78 119.66 22.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 108.214 -179.889 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.507 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -49.2 -51.09 59.86 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -75.01 -49.17 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.801 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.434 ' CE1' ' HG ' ' A' ' 83' ' ' CYS . 0.2 OUTLIER -90.96 46.17 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.58 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -62.94 -59.06 5.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.57 64.5 0.27 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.0 -49.64 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.615 0.832 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 153.21 43.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.606 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -145.67 99.2 3.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 110.991 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.535 HG12 ' N ' ' A' ' 93' ' ' GLY . 57.9 t -143.62 167.98 12.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.535 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -149.8 164.32 29.51 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.473 1.108 . . . . 0.0 111.069 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -142.79 149.08 38.19 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.582 0.813 . . . . 0.0 109.295 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.585 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 59.2 t -135.14 126.5 46.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.7 t -109.72 130.14 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.075 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.869 HG21 ' CD2' ' A' ' 73' ' ' PHE . 98.1 t -127.26 147.02 32.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.375 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 -179.969 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.871 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.2 m -135.72 142.43 45.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.59 1.181 . . . . 0.0 110.384 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.489 HG22 HG11 ' A' ' 21' ' ' VAL . 22.1 t -144.67 136.35 21.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 7' ' ' MET . 10.3 mttt -123.54 104.25 8.93 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.443 1.089 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.42 ' O ' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -45.78 174.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 37.38 -136.47 0.73 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.65 154.88 21.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.752 . . . . 0.0 109.986 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.1 67.41 6.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 t -165.06 -69.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.97 40.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.3 129.25 17.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.782 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 pp -90.91 99.11 12.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.6 m -144.05 160.58 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.564 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 22.4 m-85 -95.85 119.1 33.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 9.7 tm-20 -145.36 126.81 7.67 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.56 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -74.96 132.71 28.46 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.043 -2.482 . . . . 0.0 111.021 -0.073 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 98.2 p -56.85 -28.95 62.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.4 m -128.39 124.66 36.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.383 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.56 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -141.81 137.65 31.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 9.6 t -139.86 139.45 36.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 0.0 110.423 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.842 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 4.1 pt -134.04 -177.39 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.223 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -73.24 -179.87 3.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.629 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -100.08 106.85 18.63 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.04 -10.35 7.0 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.577 1.173 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.7 ' HB3' HD12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -86.11 -179.41 6.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 0.731 . . . . 0.0 110.335 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -123.91 179.27 4.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.248 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.871 HG22 ' HB3' ' A' ' 3' ' ' ALA . 44.8 t -144.72 148.18 18.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -121.76 153.66 37.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.481 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 1.9 m-90 -123.92 164.62 18.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 108.034 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.415 ' O ' ' SD ' ' A' ' 7' ' ' MET . 92.7 t -135.84 134.81 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.377 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -74.24 130.57 39.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -119.33 -170.31 1.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.84 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -78.75 177.1 8.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.84 HD12 ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER 72.6 66.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.539 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -98.04 162.78 21.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 0.0 110.03 179.946 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.589 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.2 Cg_endo -74.94 161.25 95.19 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 121.044 -2.482 . . . . 0.0 111.025 -0.053 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -141.09 107.16 5.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.635 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.654 ' HB3' HD13 ' A' ' 61' ' ' LEU . 11.5 p-10 -112.47 162.84 15.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 0.0 109.354 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.467 ' CD1' ' CD1' ' A' ' 31' ' ' TRP . 63.3 mt -125.04 98.54 5.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.505 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -109.87 122.96 65.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.727 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 0.5 OUTLIER -97.12 101.1 12.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 110.975 -179.952 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.853 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -77.39 108.68 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.487 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -41.16 96.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 44' ' ' ALA . 54.6 t0 -119.31 74.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.58 -32.15 6.21 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.665 HG22 ' H ' ' A' ' 49' ' ' ASP . 3.9 p -89.64 179.53 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.547 0.793 . . . . 0.0 109.261 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.665 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -74.65 158.46 33.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -70.86 -70.08 0.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.105 . . . . 0.0 109.25 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.84 -34.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.531 HG22 ' HE2' ' A' ' 79' ' ' TYR . 9.2 m -69.0 -51.65 37.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.487 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -73.29 -9.62 58.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -74.18 -44.06 54.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.58 -53.98 5.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.851 HD11 ' O ' ' A' ' 72' ' ' THR . 0.1 OUTLIER -48.14 -30.03 4.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.8 p -74.86 156.92 35.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.069 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.494 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 73.1 m-70 -128.44 107.54 9.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.62 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.505 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -111.44 39.5 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -97.28 -29.72 7.77 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.436 1.085 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.654 HD13 ' HB3' ' A' ' 40' ' ' ASN . 3.3 mm? 67.92 114.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.498 ' HB2' ' HZ ' ' A' ' 69' ' ' PHE . . . -100.49 129.33 46.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.589 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 12.0 m-30 -123.22 -38.76 2.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.5 138.5 41.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.54 89.55 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.94 48.77 0.04 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.437 1.086 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.39 101.13 6.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 m -97.43 153.08 18.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.923 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.498 ' HZ ' ' HB2' ' A' ' 62' ' ' ALA . 21.5 m-30 -126.06 167.65 15.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.5 m -135.21 151.12 50.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.0 p -142.14 147.03 36.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.03 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.851 ' O ' HD11 ' A' ' 56' ' ' LEU . 48.8 m -98.91 120.34 39.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.402 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.853 ' CZ ' HG11 ' A' ' 95' ' ' VAL . 3.5 m-30 -107.52 57.98 0.62 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.581 HG23 HG22 ' A' ' 72' ' ' THR . 1.2 p -79.2 -66.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.443 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 0.6 OUTLIER -68.22 127.73 93.25 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.36 179.954 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 18.6 Cg_endo -74.96 107.79 2.56 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.493 1.786 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.69 -148.13 4.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.8 m -143.59 104.47 4.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 0.808 . . . . 0.0 110.358 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.667 ' CE2' HD13 ' A' ' 56' ' ' LEU . 44.9 m-85 -94.29 133.41 37.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 111.057 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 36.9 m -115.09 116.73 28.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.394 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.578 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 27.7 p90 -118.2 137.2 53.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.587 1.18 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.853 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -142.21 179.62 6.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 111.04 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.44 ' SG ' ' ND1' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -92.14 126.02 37.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 108.333 179.945 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.473 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 1.6 mt-10 -38.81 -52.95 3.58 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.02 -55.66 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -87.09 49.69 1.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.667 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.422 ' HG3' ' CD1' ' A' ' 82' ' ' TYR . 3.4 ttt180 -80.54 -53.58 6.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.86 33.78 5.44 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.447 1.092 . . . . 0.0 110.948 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -98.27 -28.23 13.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.583 0.813 . . . . 0.0 109.348 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 140.36 -25.07 2.63 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.564 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -83.99 99.39 10.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 0.778 . . . . 0.0 111.02 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.544 HG12 ' N ' ' A' ' 93' ' ' GLY . 87.1 t -145.74 168.39 7.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.544 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -136.99 162.59 25.28 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.42 130.6 42.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 0.783 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.853 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 69.0 t -115.31 142.17 29.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.403 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 22' ' ' THR . 7.5 t -134.87 142.14 41.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.832 HG22 ' CD2' ' A' ' 73' ' ' PHE . 77.3 t -128.6 141.71 45.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.629 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 5.1 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.738 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.8 m -145.23 135.76 24.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 110.406 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.856 HG22 ' HD2' ' A' ' 18' ' ' PRO . 86.7 t -136.23 146.09 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -102.94 156.07 17.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' VAL . 4.6 mtm -103.94 60.36 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.65 -137.68 7.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.5 p -151.97 137.19 17.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 110.011 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -76.86 65.25 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.96 -70.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.82 42.98 0.03 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.32 169.37 17.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.445 HD12 ' HG2' ' A' ' 91' ' ' MET . 1.9 pp -122.23 99.65 6.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 m -145.5 146.97 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.152 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -94.1 111.08 22.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.494 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -141.13 134.87 14.8 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.343 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.856 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.3 Cg_endo -74.98 133.05 29.65 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.05 -0.027 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.43 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 89.3 p -58.07 -36.89 73.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.0 m -117.92 125.04 49.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.652 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.4 m -138.09 131.05 40.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.6 t -129.25 126.7 39.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.433 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.669 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 1.2 pt -128.79 -178.27 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -73.97 176.73 6.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.237 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.796 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -94.72 125.93 39.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 106.41 -18.06 39.14 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -78.58 171.71 14.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 110.275 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.2 pm0 -117.3 175.59 5.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 110.267 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.819 HG21 ' CE2' ' A' ' 73' ' ' PHE . 24.1 t -139.1 145.14 27.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 109.239 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.66 152.72 24.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.4 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 5.8 m-90 -124.11 165.22 17.9 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 7' ' ' MET . 55.9 t -141.78 133.49 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -74.92 164.22 26.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -154.61 -168.34 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.445 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -82.72 -178.62 7.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.227 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.605 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 2.8 mm? 69.13 64.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.6 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -92.5 164.82 21.14 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.027 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.61 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.5 Cg_endo -74.98 162.37 92.98 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.072 -2.47 . . . . 0.0 111.031 0.017 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 1.5 m-70 -145.81 104.58 3.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.559 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.477 HD22 ' HB2' ' A' ' 84' ' ' GLU . 2.9 p30 -116.81 179.43 4.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.885 HD13 ' CE1' ' A' ' 58' ' ' HIS . 5.3 mt -129.5 102.12 7.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.934 HG13 ' HG2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -117.11 119.34 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.649 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -97.48 98.77 10.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 0.0 111.033 179.957 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.768 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -75.93 116.06 16.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.74 95.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.343 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.4 m-20 -120.9 73.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.67 -19.52 23.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.433 1.083 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.512 HG22 HG21 ' A' ' 52' ' ' THR . 0.4 OUTLIER -107.14 176.18 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.559 0.799 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.429 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -75.29 148.96 38.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.86 -38.88 87.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.36 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.35 -58.53 6.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.578 HG23 ' OH ' ' A' ' 79' ' ' TYR . 1.1 t -56.5 -21.77 28.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.81 -24.37 19.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.9 -47.1 86.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -44.69 34.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.785 HD13 ' OG ' ' A' ' 71' ' ' SER . 1.6 mm? -58.24 -26.45 62.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.3 p -84.38 130.51 34.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.069 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.885 ' CE1' HD13 ' A' ' 41' ' ' ILE . 6.8 p80 -133.66 100.36 4.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 109.591 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.934 ' HG2' HG13 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -71.65 -68.35 0.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.474 ' HA3' ' CZ ' ' A' ' 69' ' ' PHE . . . 35.31 91.52 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.516 1.135 . . . . 0.0 111.05 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.765 HD12 ' HZ ' ' A' ' 63' ' ' PHE . 4.4 mm? -64.09 92.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.756 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.446 ' O ' ' CD1' ' A' ' 63' ' ' PHE . . . -99.54 128.45 45.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.765 ' HZ ' HD12 ' A' ' 61' ' ' LEU . 12.9 m-85 -138.08 40.0 2.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.77 162.79 29.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.45 74.69 6.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 156.08 44.57 0.02 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.79 130.43 55.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.8 m -140.34 130.09 24.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.038 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.474 ' CZ ' ' HA3' ' A' ' 60' ' ' GLY . 15.4 m-85 -107.98 174.76 5.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 3.8 m -139.17 156.3 47.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.404 -179.938 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.785 ' OG ' HD13 ' A' ' 56' ' ' LEU . 17.6 t -141.47 152.36 44.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.947 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.776 ' O ' HD11 ' A' ' 56' ' ' LEU . 2.3 m -102.14 104.0 14.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.819 ' CE2' HG21 ' A' ' 29' ' ' VAL . 5.4 m-30 -94.0 60.78 2.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.554 HG23 ' CG2' ' A' ' 72' ' ' THR . 3.2 p -81.43 -70.27 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.432 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.97 125.15 68.83 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 100.96 1.41 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.452 1.764 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -149.02 -146.51 4.34 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.6 m -145.72 91.96 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 110.384 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.649 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 72.8 m-85 -82.5 141.32 32.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 43.7 m -124.14 112.9 17.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.385 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.67 ' OH ' HG11 ' A' ' 5' ' ' VAL . 29.8 p90 -115.89 126.66 54.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.768 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -126.47 179.89 5.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.442 ' SG ' ' ND1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER -85.63 146.04 27.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 108.309 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.532 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 1.8 mt-10 -69.3 -49.46 23.4 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.98 -43.23 0.41 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.582 1.833 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.422 ' CE1' ' CE1' ' A' ' 39' ' ' HIS . 1.4 m80 -96.65 37.14 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.627 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.8 114.85 7.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 69.92 19.25 75.14 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -81.89 -29.45 32.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 0.732 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 151.1 -48.92 0.55 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.445 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -76.01 103.04 5.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 111.015 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.517 HG22 ' N ' ' A' ' 93' ' ' GLY . 2.3 p -146.43 166.66 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.517 ' N ' HG22 ' A' ' 92' ' ' VAL . . . -131.21 157.08 22.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.553 1.158 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -137.9 107.98 6.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.59 0.818 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.484 HG11 ' CE2' ' A' ' 73' ' ' PHE . 25.3 t -80.56 153.92 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.7 t -143.57 100.51 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.172 . . . . 0.0 109.244 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.445 HG22 ' HB3' ' A' ' 73' ' ' PHE . 87.0 t -92.3 141.84 13.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.796 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 22.8 t70 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.611 ' HB3' HG21 ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.4 HG23 ' HB3' ' A' ' 30' ' ' LYS . 18.7 m -91.34 158.17 16.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.483 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.561 HG22 ' HD2' ' A' ' 18' ' ' PRO . 2.9 t -143.48 120.99 6.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.551 ' HE2' HG21 ' A' ' 32' ' ' VAL . 6.7 mttt -96.48 135.53 38.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.415 ' O ' ' C ' ' A' ' 8' ' ' GLY . 39.1 mtm -101.96 177.75 4.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 111.112 179.917 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 7' ' ' MET . . . 36.77 92.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 8' ' ' GLY . 87.2 p -38.27 144.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 110.056 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -73.78 58.77 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 t -147.04 -61.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.991 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.88 42.85 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.24 141.75 28.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.425 ' H ' HD23 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -90.61 98.47 11.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.7 m -147.39 142.21 19.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.225 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.607 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 96.6 m-85 -87.19 123.01 31.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HA ' ' N ' ' A' ' 19' ' ' SER . 2.7 tm-20 -145.25 128.4 8.37 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.508 1.13 . . . . 0.0 110.351 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.561 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.2 Cg_endo -75.05 129.88 19.83 Favored 'Cis proline' 0 C--N 1.361 1.225 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.022 0.028 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.447 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 1.7 p -55.9 -39.66 71.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.993 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.9 m -117.8 130.02 56.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.396 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.514 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -144.04 136.02 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.1 m -114.29 102.57 10.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.611 HG21 ' HB3' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -107.8 170.57 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.227 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.53 173.99 10.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.33 145.51 25.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.2 -15.97 46.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.28 -179.83 4.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.482 ' OE2' HG23 ' A' ' 70' ' ' THR . 2.9 pt-20 -118.72 171.01 8.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.153 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.747 HG21 ' CZ ' ' A' ' 73' ' ' PHE . 25.2 t -138.65 121.75 19.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.4 ' HB3' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -92.68 153.01 19.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.747 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 1.6 m-90 -128.19 116.71 20.32 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.551 HG21 ' HE2' ' A' ' 6' ' ' LYS . 75.8 t -90.03 124.54 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.515 ' ND2' ' HB1' ' A' ' 62' ' ' ALA . 48.7 t30 -78.82 150.29 32.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -144.73 -152.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.44 ' HB3' HD22 ' A' ' 36' ' ' LEU . 5.7 mmtm -74.75 -179.28 4.07 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.56 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.4 mm? 68.06 46.35 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 179.927 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.519 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -92.49 161.96 30.99 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.464 1.103 . . . . 0.0 109.996 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.519 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.93 158.26 99.09 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.022 -0.08 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.457 ' CE1' ' SG ' ' A' ' 83' ' ' CYS . 0.5 OUTLIER -129.92 100.02 5.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.605 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -88.37 177.43 6.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.527 HD13 ' CD1' ' A' ' 31' ' ' TRP . 5.7 mt -145.15 99.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.245 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.479 HG13 ' HG2' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -115.61 120.83 65.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.61 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -92.56 99.93 12.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 111.03 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.959 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -75.74 114.17 14.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.426 ' HB2' ' HA ' ' A' ' 50' ' ' ALA . . . -46.78 95.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 44' ' ' ALA . 7.3 m-20 -118.67 81.23 1.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.66 -34.91 5.34 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.659 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -89.75 -179.83 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.472 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -74.94 147.95 40.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.426 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . . . -62.67 -69.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.632 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 48.6 m-20 -40.55 -38.16 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.759 HG22 ' HE2' ' A' ' 79' ' ' TYR . 3.1 m -62.53 -68.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.411 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -51.78 -22.25 3.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -64.06 -50.88 66.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.907 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -63.73 -35.95 82.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.489 HD11 ' O ' ' A' ' 72' ' ' THR . 6.4 mp -77.86 -19.65 54.44 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 -179.926 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 53' ' ' ALA . 4.2 m -74.84 126.16 30.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.026 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.566 ' CE1' ' O ' ' A' ' 70' ' ' THR . 89.6 m-70 -107.88 101.38 10.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.479 ' HG2' HG13 ' A' ' 42' ' ' VAL . 9.7 mttt -97.24 31.29 2.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -84.12 -148.79 9.22 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.827 HD13 ' H ' ' A' ' 62' ' ' ALA . 0.2 OUTLIER -143.3 164.97 28.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 0.792 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.827 ' H ' HD13 ' A' ' 61' ' ' LEU . . . -137.53 98.67 3.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.68 ' CD1' ' CD1' ' A' ' 61' ' ' LEU . 2.1 m-85 -132.08 33.32 3.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.092 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.9 139.9 27.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.43 88.13 6.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.82 -19.47 1.12 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.593 1.183 . . . . 0.0 111.033 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.44 156.27 35.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.771 . . . . 0.0 110.289 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 35.8 m -145.46 -179.64 6.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.419 1.074 . . . . 0.0 109.965 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.582 ' CD1' ' N ' ' A' ' 69' ' ' PHE . 0.2 OUTLIER -130.86 134.82 47.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.566 ' O ' ' CE1' ' A' ' 58' ' ' HIS . 2.3 m -112.29 145.67 39.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.447 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.6 p -132.1 159.86 37.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.075 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.489 ' O ' HD11 ' A' ' 56' ' ' LEU . 27.5 m -110.7 114.59 28.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.999 ' CZ ' HG11 ' A' ' 95' ' ' VAL . 6.1 m-30 -93.8 43.36 1.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 m -50.62 -67.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.373 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.19 128.18 63.42 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 147.84 34.3 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 171.38 -150.19 13.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.543 1.152 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 m -132.4 93.84 3.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 110.41 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.759 ' HE2' HG22 ' A' ' 52' ' ' THR . 87.3 m-85 -91.23 137.03 32.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.2 m -114.84 115.39 26.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.386 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.753 ' CE1' HG23 ' A' ' 95' ' ' VAL . 33.1 p90 -114.69 139.45 49.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.959 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -144.51 179.82 7.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 111.023 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 1.22 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 12.7 m -78.75 131.68 36.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.328 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.552 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -61.82 -48.85 88.28 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.28 -179.968 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.97 -43.63 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.793 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -93.29 42.22 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.6 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -83.65 50.03 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 155.68 56.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.108 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.44 -49.81 0.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 0.766 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 149.83 43.91 0.03 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 91' ' ' MET . . . . . 1.22 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.2 OUTLIER -145.42 99.65 3.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.737 . . . . 0.0 110.958 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.545 HG12 ' N ' ' A' ' 93' ' ' GLY . 58.1 t -146.9 168.94 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.545 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -135.43 172.75 22.02 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.16 116.21 8.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 0.812 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.999 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 77.4 t -104.03 138.83 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.3 t -130.87 112.98 23.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.792 HG22 ' CD2' ' A' ' 73' ' ' PHE . 99.3 t -90.21 143.42 11.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.736 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.3 m -133.59 141.27 47.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.389 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.569 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 9.1 t -139.57 148.33 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 8' ' ' GLY . 12.4 mttt -128.33 121.98 30.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.42 61.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 111.044 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 6' ' ' LYS . . . 126.46 -164.35 20.06 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.14 162.71 20.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 0.767 . . . . 0.0 109.958 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -90.56 38.87 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.32 -74.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.08 . . . . 0.0 109.993 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.92 43.77 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.46 100.98 4.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.754 HD11 ' CE1' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -74.68 100.08 3.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 m -145.19 173.22 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.551 ' CE2' ' HE2' ' A' ' 91' ' ' MET . 1.9 m-85 -108.27 106.45 16.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.507 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -141.5 133.84 13.93 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.391 1.057 . . . . 0.0 110.298 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.846 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.06 134.4 35.74 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.958 -2.518 . . . . 0.0 110.995 0.043 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.407 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 1.7 t -61.72 -22.41 65.34 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.486 1.116 . . . . 0.0 110.069 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -140.19 118.98 12.45 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.846 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.1 m -118.15 149.72 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.9 m -136.1 126.72 27.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.736 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 1.1 pp -142.35 179.97 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.676 ' O ' HD12 ' A' ' 23' ' ' ILE . 22.7 mmtt -77.92 177.68 8.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.432 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -98.55 91.76 5.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.58 1.175 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.06 -18.23 2.14 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.482 1.113 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.516 ' HB3' HD13 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -75.04 171.32 14.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 0.734 . . . . 0.0 110.226 -179.943 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 29' ' ' VAL . 0.7 OUTLIER -118.82 142.16 47.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.327 179.975 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.658 HG21 ' CE2' ' A' ' 73' ' ' PHE . 80.5 t -109.1 144.3 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 13.9 ttpt -115.63 152.96 32.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.377 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.569 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 7.1 m-90 -120.57 169.55 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.9 t -135.32 126.39 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.253 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -74.34 152.49 39.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -136.07 -156.02 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -103.3 -179.17 3.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.353 179.947 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.453 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 1.2 mp 76.57 40.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.612 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -68.18 165.91 29.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.947 -179.98 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.612 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.98 160.09 97.06 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.968 -0.036 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.754 ' CE1' HD11 ' A' ' 14' ' ' LEU . 13.0 m-70 -145.83 122.99 11.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.62 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.464 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 4.9 p-10 -136.84 161.35 36.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.731 HG22 ' CE1' ' A' ' 43' ' ' PHE . 3.6 mt -116.86 98.75 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.922 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -101.63 130.6 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.731 ' CE1' HG22 ' A' ' 41' ' ' ILE . 2.2 m-85 -97.45 101.94 13.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.687 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -81.32 103.26 10.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' ALA . . . -39.72 97.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' ALA . 10.3 m-20 -125.45 77.02 1.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.4 -32.93 5.2 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.624 HG13 ' N ' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -92.67 -178.74 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.261 -179.951 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.624 ' N ' HG13 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -74.31 169.57 17.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.44 -70.54 0.44 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.62 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -47.2 -37.71 10.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.509 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 3.4 m -59.29 -60.46 3.83 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.481 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -63.82 -20.63 65.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -61.45 -54.35 44.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -65.38 -37.1 85.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.889 HD11 ' O ' ' A' ' 72' ' ' THR . 0.3 OUTLIER -77.96 -7.17 56.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.563 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -85.48 115.94 23.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.919 -179.914 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.732 ' CE1' ' CD1' ' A' ' 69' ' ' PHE . 4.3 m-70 -91.16 98.66 11.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.619 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -103.19 27.17 7.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.71 132.08 10.81 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 5.1 mp -82.01 134.17 35.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -131.59 111.85 12.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 7.5 m-85 -124.98 50.55 1.74 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 111.044 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.37 145.14 36.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.73 62.16 5.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.177 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.35 42.02 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.55 1.156 . . . . 0.0 111.037 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -115.85 128.53 55.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 0.0 110.335 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 75.0 m -130.93 129.78 42.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.075 . . . . 0.0 109.966 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.732 ' CD1' ' CE1' ' A' ' 58' ' ' HIS . 1.0 OUTLIER -97.73 167.94 10.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 111.032 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.429 ' O ' ' NE2' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -140.31 138.84 35.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 -179.969 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.54 ' HG ' ' HE1' ' A' ' 73' ' ' PHE . 1.5 t -138.35 127.95 24.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.889 ' O ' HD11 ' A' ' 56' ' ' LEU . 20.3 m -76.2 125.01 28.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.702 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.9 m-30 -104.13 44.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 m -64.32 -65.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.388 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.91 123.9 88.21 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.581 1.176 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 134.85 18.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.446 1.761 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 168.74 -163.54 37.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.533 1.145 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 88.6 m -115.03 116.08 27.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 0.721 . . . . 0.0 110.412 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.61 ' CE1' HG11 ' A' ' 48' ' ' VAL . 76.4 m-85 -107.51 96.55 6.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.4 m -80.81 111.88 17.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.367 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.537 ' CE1' HG23 ' A' ' 95' ' ' VAL . 31.6 p90 -118.53 136.59 53.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.687 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -141.54 -179.55 6.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.627 1.205 . . . . 0.0 110.973 179.967 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.459 ' SG ' ' ND1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER -85.52 155.51 21.17 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.514 1.133 . . . . 0.0 108.249 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.472 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 2.3 mt-10 -79.29 -55.81 0.87 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.1 . . . . 0.0 110.284 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.472 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.99 -25.81 11.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.55 1.816 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.571 ' CE1' ' CE1' ' A' ' 39' ' ' HIS . 8.3 m80 -110.67 27.45 9.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.614 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.427 ' HG3' ' CD1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -67.24 70.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 86' ' ' HIS . . . 121.82 38.59 0.61 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.103 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -110.52 29.28 7.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 0.789 . . . . 0.0 109.376 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 89.39 -14.14 61.89 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.551 ' HE2' ' CE2' ' A' ' 16' ' ' PHE . 9.5 ptm -107.32 120.54 42.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.543 HG12 ' N ' ' A' ' 93' ' ' GLY . 84.3 t -146.81 167.86 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.363 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.543 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -131.14 146.83 18.18 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.515 1.134 . . . . 0.0 111.045 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -138.76 98.58 3.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.537 HG23 ' CE1' ' A' ' 81' ' ' TYR . 2.3 t -79.25 154.57 4.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.23 -179.906 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.0 t -144.55 120.81 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.702 HG22 ' CD2' ' A' ' 73' ' ' PHE . 21.5 t -111.74 140.81 29.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.432 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 22.6 t0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 1.068 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.7 m -78.43 126.99 31.55 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.377 1.048 . . . . 0.0 110.457 179.925 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 31' ' ' TRP . 88.3 t -143.91 101.84 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 143.34 34.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -71.37 -55.82 7.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.15 -133.21 7.9 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.469 1.106 . . . . 0.0 111.031 179.933 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -150.57 150.11 30.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.743 . . . . 0.0 109.982 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.84 66.15 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.906 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.09 -74.06 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.49 41.26 0.02 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.522 ' N ' HD11 ' A' ' 36' ' ' LEU . . . -145.64 125.81 13.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.847 ' CD1' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -74.23 98.48 3.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.7 m -137.74 132.15 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.572 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 35.6 m-85 -80.88 116.08 20.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 1.09 . . . . 0.0 110.969 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.471 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 4.7 tt0 -145.15 131.1 9.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.706 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.02 131.82 25.51 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 121.043 -2.482 . . . . 0.0 111.015 0.025 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.438 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 66.5 p -52.13 -37.13 53.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -124.93 128.4 48.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.706 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -131.8 148.13 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.0 m -136.87 100.74 4.39 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.611 1.194 . . . . 0.0 110.372 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.926 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.1 pt -110.05 -179.66 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.472 ' O ' HD12 ' A' ' 23' ' ' ILE . 6.6 mmtt -75.68 174.76 9.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.662 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -95.27 120.04 34.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.85 -24.61 8.85 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.459 1.1 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.02 177.42 6.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.774 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.38 170.1 11.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.38 179.936 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.068 HG22 ' HB3' ' A' ' 3' ' ' ALA . 4.1 t -131.62 130.63 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 ttpp -97.17 158.25 15.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.496 ' O ' ' CB ' ' A' ' 68' ' ' SER . 4.4 m-90 -125.16 155.72 39.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 107.968 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.8 t -142.14 112.97 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -74.96 149.42 39.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -123.31 -77.42 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -145.26 -179.73 6.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.847 HD22 ' CD1' ' A' ' 14' ' ' LEU . 0.7 OUTLIER 65.03 65.57 0.59 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.581 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -95.89 164.14 19.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.0 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.581 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.97 164.21 88.93 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.955 -2.519 . . . . 0.0 110.984 -0.077 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -136.36 99.9 4.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.622 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.8 OUTLIER -110.11 165.99 11.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.244 -179.954 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.1 mp -120.55 101.47 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.162 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.469 ' CG1' ' HG2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -108.4 119.04 57.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.668 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 0.6 OUTLIER -98.01 107.56 20.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 111.003 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.898 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -86.36 114.22 22.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.496 ' HB2' ' HA ' ' A' ' 50' ' ' ALA . . . -41.35 96.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.7 OUTLIER -125.28 62.97 1.17 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 -179.962 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.18 -19.56 6.79 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.735 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -110.33 177.31 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.47 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -76.51 135.87 39.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.941 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.496 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . . . -55.25 -45.93 76.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.538 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -55.9 -58.35 8.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.944 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.488 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -55.89 -33.95 65.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.413 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -77.27 -21.45 53.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -64.45 -43.32 94.62 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -71.98 -37.98 69.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.092 . . . . 0.0 109.365 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.958 HD11 ' O ' ' A' ' 72' ' ' THR . 0.6 OUTLIER -75.02 -20.75 59.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.949 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -74.08 137.72 43.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 0.0 109.982 -179.949 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.774 ' CE1' ' CD1' ' A' ' 69' ' ' PHE . 3.2 m-70 -122.83 99.84 6.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.592 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 0.5 OUTLIER -102.19 48.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.54 ' C ' HD22 ' A' ' 61' ' ' LEU . . . -105.75 169.14 15.73 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.553 HD22 ' N ' ' A' ' 61' ' ' LEU . 1.4 mm? -105.19 120.91 42.7 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.545 0.791 . . . . 0.0 109.243 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -111.58 107.99 17.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 7.1 m-85 -121.88 -43.01 2.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.59 110.73 13.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.583 1.177 . . . . 0.0 109.284 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.97 98.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 163.22 -27.22 0.23 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -74.37 114.61 12.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 110.354 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 2.3 p -111.95 121.01 43.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.572 1.17 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.774 ' CD1' ' CE1' ' A' ' 58' ' ' HIS . 1.3 m-85 -82.37 177.0 8.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.0 m -145.21 155.54 43.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.354 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.469 ' OG ' HD23 ' A' ' 56' ' ' LEU . 15.9 t -139.21 139.75 37.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.011 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.958 ' O ' HD11 ' A' ' 56' ' ' LEU . 27.1 m -91.04 111.21 22.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.443 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.793 ' O ' HG11 ' A' ' 97' ' ' VAL . 4.3 m-30 -95.97 41.57 1.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -67.54 -63.44 1.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.26 119.42 45.83 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.362 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 107.1 2.41 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.535 1.808 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.37 -141.15 3.06 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 78' ' ' THR . 15.3 t -145.32 103.33 3.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 0.73 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.735 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 92.9 m-85 -96.86 137.54 35.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.4 m -116.54 116.06 26.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.592 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 28.0 p90 -118.45 137.03 53.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 111.063 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.898 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -135.71 178.67 6.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' ARG . 0.1 OUTLIER -77.96 127.7 32.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 108.26 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.536 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -61.75 -49.3 86.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.947 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.0 Cg_endo -75.07 -36.0 2.77 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.459 1.768 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -105.4 36.47 2.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.617 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' CYS . 3.9 ppt_? -68.8 -12.33 61.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 110.261 -179.912 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -140.49 54.87 0.64 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.4 -46.33 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 0.82 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 142.59 45.54 0.05 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.572 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 2.2 ttt -145.09 103.6 3.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.543 HG12 ' HB3' ' A' ' 82' ' ' TYR . 16.7 m -145.79 178.35 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -157.98 156.52 27.42 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.58 1.175 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -119.35 169.54 9.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.668 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 45.7 t -145.0 145.41 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.7 t -140.86 103.1 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.793 HG11 ' O ' ' A' ' 73' ' ' PHE . 59.3 t -92.77 141.17 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.662 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 1.081 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.1 m -137.15 126.33 24.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.362 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.834 HG22 ' HD2' ' A' ' 18' ' ' PRO . 48.9 t -137.33 160.78 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.445 ' CG ' ' HB ' ' A' ' 32' ' ' VAL . 8.5 mttt -127.9 154.32 45.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.5 ptp -94.1 28.37 2.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . 175.96 -136.56 3.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.451 1.094 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.98 157.05 41.21 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.45 0.735 . . . . 0.0 109.973 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.56 70.72 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.68 -70.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.977 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.54 44.02 0.02 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.0 130.12 18.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 0.715 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.694 HD12 ' HG3' ' A' ' 91' ' ' MET . 1.4 pp -74.93 101.02 4.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.4 m -137.73 172.95 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.607 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 21.9 m-85 -123.72 111.06 15.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.537 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 19.7 tt0 -145.61 135.14 11.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 110.33 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.834 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.5 Cg_endo -74.95 136.91 47.38 Favored 'Cis proline' 0 C--N 1.359 1.097 0 C-N-CA 121.047 -2.48 . . . . 0.0 110.971 0.04 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.0 p -62.22 -25.1 67.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.03 127.91 33.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.365 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.709 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -135.02 137.67 50.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.935 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.8 m -128.11 112.33 14.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.416 1.072 . . . . 0.0 110.393 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 1.081 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 1.2 pp -117.16 -179.99 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.826 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.73 169.06 18.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.72 143.95 28.07 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.193 -179.927 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.02 9.18 86.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 0.0 110.954 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.446 ' HB3' HD13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -99.35 -179.65 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 110.333 179.959 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -127.59 148.61 50.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.822 HG22 ' HB3' ' A' ' 3' ' ' ALA . 39.8 t -117.18 149.57 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.9 141.27 52.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.404 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 5.7 m-90 -107.31 179.76 4.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 107.954 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 5' ' ' VAL . 4.9 t -137.34 156.7 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -91.11 155.44 18.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 8' ' ' GLY . 22.2 m120 -147.15 -179.42 6.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.175 . . . . 0.0 109.333 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.688 ' O ' HD12 ' A' ' 36' ' ' LEU . 2.9 mttm -81.19 179.57 7.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.688 HD12 ' O ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER 76.85 61.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.52 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -91.8 161.6 33.34 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 110.03 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.59 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.5 Cg_endo -74.91 159.57 97.78 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.037 -0.054 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.442 ' ND1' ' SG ' ' A' ' 83' ' ' CYS . 0.3 OUTLIER -137.36 117.67 13.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.56 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -112.3 175.26 5.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.8 mt -145.37 107.3 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.699 HG23 ' HB3' ' A' ' 57' ' ' SER . 5.8 p -137.32 120.58 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.615 ' CE1' ' CB ' ' A' ' 81' ' ' TYR . 3.7 m-30 -84.86 158.16 20.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 1.014 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -120.11 141.08 50.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.73 82.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.499 ' O ' HG23 ' A' ' 78' ' ' THR . 1.0 OUTLIER -111.0 78.24 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.49 -26.52 19.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.677 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -95.79 -179.49 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.528 0.781 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.456 ' N ' HG13 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -76.77 150.23 36.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 109.27 -179.95 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.14 -70.33 0.23 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.68 -32.99 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.711 HG22 ' HE2' ' A' ' 79' ' ' TYR . 3.1 m -67.21 -77.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -41.07 -38.78 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.37 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.62 -70.58 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -37.5 72.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.869 HD22 ' CD2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -62.57 -19.39 63.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.699 ' HB3' HG23 ' A' ' 42' ' ' VAL . 4.2 m -88.07 125.41 34.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.026 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.455 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 82.1 m-70 -82.76 101.29 10.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.56 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -92.1 57.37 3.07 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -134.43 179.8 17.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.732 HD12 ' CZ ' ' A' ' 63' ' ' PHE . 3.2 mm? -121.72 130.66 53.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.396 0.703 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -124.89 107.87 11.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.732 ' CZ ' HD12 ' A' ' 61' ' ' LEU . 12.3 m-85 -125.09 51.4 1.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.606 1.191 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.18 140.26 29.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.68 59.84 3.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.073 . . . . 0.0 109.262 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 169.03 40.05 0.03 OUTLIER Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -117.84 133.7 55.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 110.34 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.0 m -137.04 131.99 33.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.455 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 1.3 m-85 -100.03 171.55 7.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.447 ' O ' ' CE1' ' A' ' 58' ' ' HIS . 1.2 p -135.55 136.81 41.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.408 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.5 t -123.51 146.11 48.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.933 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.622 ' O ' HD11 ' A' ' 56' ' ' LEU . 1.2 m -88.66 114.4 25.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.399 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.996 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.2 m-85 -104.3 62.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 111.045 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.48 -55.63 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.412 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -77.76 123.92 86.44 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.254 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 100.38 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.431 1.753 . . . . 0.0 111.035 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -152.41 -139.43 2.92 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 -179.878 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 46' ' ' ASP . 14.6 t -145.53 128.42 16.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 0.794 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.869 ' CD2' HD22 ' A' ' 56' ' ' LEU . 91.1 m-85 -120.59 102.9 8.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.1 p -74.04 100.62 3.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.412 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.896 ' CD1' HG23 ' A' ' 95' ' ' VAL . 50.8 p90 -95.24 131.33 41.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 1.014 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -145.15 -179.73 6.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.984 -179.939 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.458 ' HG ' ' CE1' ' A' ' 86' ' ' HIS . 0.5 OUTLIER -82.03 119.09 23.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 108.35 179.92 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.658 ' HG3' HG11 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -44.62 -49.87 25.31 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 110.32 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.6 Cg_endo -74.97 -50.07 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.46 1.768 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.458 ' CE1' ' HG ' ' A' ' 83' ' ' CYS . 1.6 m170 -87.57 45.22 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.615 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.62 4.73 39.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -157.6 61.76 0.32 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -144.87 -54.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.77 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 159.58 42.08 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.694 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -145.92 99.71 3.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 0.722 . . . . 0.0 111.041 179.97 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.533 HG12 ' N ' ' A' ' 93' ' ' GLY . 73.0 t -145.86 167.27 8.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.417 1.073 . . . . 0.0 109.283 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.533 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -137.36 177.84 19.51 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.27 119.68 9.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 0.753 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.896 HG23 ' CD1' ' A' ' 81' ' ' TYR . 40.2 t -99.73 151.1 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.1 t -142.08 130.87 22.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.228 -179.948 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.996 HG22 ' CD2' ' A' ' 73' ' ' PHE . 54.6 t -116.94 142.29 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.6 t0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.954 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 1.043 ' HB2' HG21 ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.9 m -130.24 129.88 43.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.345 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.653 HG22 ' HD2' ' A' ' 18' ' ' PRO . 81.4 t -132.83 156.36 42.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.77 126.29 43.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.41 ' CG ' ' HA ' ' A' ' 33' ' ' ASN . 9.9 ptp -77.68 53.3 1.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 9' ' ' SER . . . 135.65 134.91 3.39 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 8' ' ' GLY . 0.4 OUTLIER -41.42 162.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.769 . . . . 0.0 110.039 179.945 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -74.24 69.33 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.0 t 71.24 96.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.579 1.174 . . . . 0.0 109.971 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.11 -73.93 0.09 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.21 162.52 36.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.825 HD12 ' SD ' ' A' ' 91' ' ' MET . 0.5 OUTLIER -82.38 100.1 9.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.4 m -143.61 134.34 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.51 ' CE2' ' HG3' ' A' ' 91' ' ' MET . 29.4 m-85 -76.48 120.59 21.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.474 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.4 tp10 -143.05 131.06 11.17 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.865 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.5 Cg_endo -74.93 135.23 39.51 Favored 'Cis proline' 0 C--N 1.359 1.109 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.004 -0.068 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.9 p -53.16 -31.25 41.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.025 179.924 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.2 m -130.69 114.84 15.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.436 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.865 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -119.16 134.7 61.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.6 m -133.24 108.89 9.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 1.043 HG21 ' HB2' ' A' ' 3' ' ' ALA . 6.1 pt -114.38 -179.87 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -75.02 179.27 5.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.467 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -96.78 90.8 5.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.63 -16.73 2.23 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.714 ' HB3' HD12 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -76.34 175.67 8.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.296 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.891 ' OE2' HG23 ' A' ' 72' ' ' THR . 1.9 mp0 -116.59 178.01 4.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.878 HG22 ' HB3' ' A' ' 3' ' ' ALA . 22.3 t -138.06 109.38 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -90.63 123.99 34.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.362 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.573 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 1.4 m-90 -96.71 169.33 9.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 107.942 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 t -145.56 131.46 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.489 ' CG ' ' HB1' ' A' ' 62' ' ' ALA . 49.6 t30 -74.72 140.2 43.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 179.946 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.09 -158.98 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.639 ' C ' HD22 ' A' ' 36' ' ' LEU . 1.2 mmpt? -76.69 -179.54 5.4 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.639 HD22 ' C ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER 72.14 23.23 3.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.578 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -76.94 164.57 58.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.088 179.966 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.578 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.03 160.64 96.23 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 120.98 -2.509 . . . . 0.0 111.041 0.047 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.45 ' ND1' ' SG ' ' A' ' 83' ' ' CYS . 3.1 m-70 -131.73 156.1 46.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 0.0 109.637 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.496 ' OD1' HD23 ' A' ' 61' ' ' LEU . 3.5 m-20 -135.85 169.7 17.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.389 1.056 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.8 mt -141.91 99.31 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -112.91 130.57 66.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.873 ' CD2' HD23 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -104.13 100.81 10.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.98 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.963 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -77.19 129.74 36.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.426 ' HB2' ' HA ' ' A' ' 50' ' ' ALA . . . -51.87 91.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 44' ' ' ALA . 3.8 m-20 -121.04 85.1 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.91 -20.01 52.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.96 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -111.56 -178.79 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.503 0.767 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.547 ' H ' HG22 ' A' ' 48' ' ' VAL . 24.8 m-20 -74.14 166.87 22.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.426 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . . . -77.04 -57.93 3.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.83 -62.75 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.495 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 20.6 m -45.76 -52.16 11.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.381 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.593 ' O ' HD22 ' A' ' 56' ' ' LEU . . . -53.33 -41.51 65.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.421 ' HA ' ' OG ' ' A' ' 57' ' ' SER . . . -78.07 0.47 24.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.496 ' HB3' HD13 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -82.11 -50.26 9.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.873 HD23 ' CD2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -90.01 -1.85 58.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.39 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.453 ' HB3' ' O ' ' A' ' 53' ' ' ALA . 37.4 p -72.24 166.13 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.96 -179.943 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.577 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 92.1 m-70 -145.3 99.65 3.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.623 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -97.43 47.44 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.418 ' O ' ' ND2' ' A' ' 40' ' ' ASN . . . -106.72 -142.05 10.52 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.632 HD22 ' HE1' ' A' ' 63' ' ' PHE . 10.7 mt -149.28 168.96 21.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 0.716 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.489 ' HB1' ' CG ' ' A' ' 33' ' ' ASN . . . -142.93 102.8 4.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.632 ' HE1' HD22 ' A' ' 61' ' ' LEU . 6.1 m-85 -118.34 -48.47 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.1 132.73 36.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.16 89.53 4.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.03 -28.44 0.2 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.569 1.168 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -74.69 133.14 42.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 0.795 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.9 172.42 12.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.577 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 22.4 m-30 -123.82 165.71 16.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 110.95 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.533 ' O ' ' CE1' ' A' ' 58' ' ' HIS . 12.0 m -136.8 151.35 49.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.398 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.526 ' OG ' ' CZ3' ' A' ' 31' ' ' TRP . 2.5 p -143.9 155.88 44.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.405 1.066 . . . . 0.0 109.954 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.891 HG23 ' OE2' ' A' ' 28' ' ' GLU . 25.2 m -114.92 115.99 27.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 110.416 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.825 ' CE2' HG21 ' A' ' 29' ' ' VAL . 6.9 m-30 -99.02 66.83 1.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.498 HG22 ' N ' ' A' ' 75' ' ' GLU . 0.4 OUTLIER -86.68 -53.49 4.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.469 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.498 ' N ' HG22 ' A' ' 74' ' ' THR . 1.2 tp10 -65.75 119.6 61.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 101.23 1.45 Allowed 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.546 1.814 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.69 -145.11 4.07 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.8 m -141.24 110.66 6.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 0.772 . . . . 0.0 110.426 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.96 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 90.5 m-85 -109.22 138.17 45.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 m -121.41 110.43 16.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.177 . . . . 0.0 110.39 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.691 ' CE1' HG23 ' A' ' 95' ' ' VAL . 41.5 p90 -107.29 130.52 54.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.963 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -131.67 -179.55 5.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 179.961 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.45 ' SG ' ' ND1' ' A' ' 39' ' ' HIS . 1.3 t -81.42 135.68 35.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 108.324 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.465 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -62.07 -55.42 41.03 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 110.29 -179.949 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.465 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -75.0 -41.4 0.66 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.484 1.781 . . . . 0.0 111.028 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -96.26 37.4 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.585 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.41 ' CA ' ' O ' ' A' ' 83' ' ' CYS . 7.7 tmm_? -68.61 102.06 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.05 21.57 56.95 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.495 1.122 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.36 -23.03 50.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 148.5 -29.14 1.32 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.595 1.185 . . . . 0.0 110.994 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.825 ' SD ' HD12 ' A' ' 14' ' ' LEU . 14.8 ptm -103.38 122.25 44.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.78 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 93' ' ' GLY . 54.6 t -145.97 165.87 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.5 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -123.99 150.8 17.02 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 tttp -134.32 103.38 5.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 109.255 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.691 HG23 ' CE1' ' A' ' 81' ' ' TYR . 3.0 t -90.93 147.34 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.353 179.917 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.1 t -144.58 116.34 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.429 ' CG1' ' HA ' ' A' ' 25' ' ' ALA . 37.4 t -98.2 144.34 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.467 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 1.016 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 27.4 m -84.4 128.31 34.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.436 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.714 ' CG2' HG11 ' A' ' 21' ' ' VAL . 79.8 t -139.9 100.27 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.0 143.91 45.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.842 ' SD ' HD11 ' A' ' 41' ' ' ILE . 1.4 mpp? -80.42 -63.13 1.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.432 ' HA3' ' CB ' ' A' ' 34' ' ' ASN . . . -88.75 -152.92 26.18 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.424 1.077 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.663 ' HB3' HG22 ' A' ' 15' ' ' VAL . 31.1 p -121.73 158.81 27.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.978 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -88.08 66.94 8.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.0 t -176.39 -69.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.3 44.44 0.04 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.438 1.086 . . . . 0.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -143.03 129.73 20.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 0.744 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.707 HD23 HD13 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -83.71 100.69 11.04 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.663 HG22 ' HB3' ' A' ' 9' ' ' SER . 17.1 m -145.27 131.47 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.221 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.497 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 41.9 m-85 -82.07 116.76 21.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.946 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.8 tt0 -142.75 130.18 11.08 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.675 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.94 132.62 28.15 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.032 -0.096 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.423 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 99.8 p -54.7 -36.47 64.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.005 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.1 m -123.28 121.8 36.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.423 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.714 HG11 ' CG2' ' A' ' 5' ' ' VAL . 1.0 OUTLIER -124.74 144.83 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 m -132.96 100.42 4.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.886 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.1 pt -111.86 -179.7 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.928 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.562 ' O ' HD12 ' A' ' 23' ' ' ILE . 42.7 mmtt -80.54 176.26 9.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.73 134.14 35.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.21 -20.9 45.34 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.97 179.67 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 110.263 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -121.64 178.48 4.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.583 1.177 . . . . 0.0 110.342 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.016 HG22 ' HB3' ' A' ' 3' ' ' ALA . 3.0 t -143.65 116.5 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 109.36 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -82.13 161.03 22.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.606 ' CD1' ' O ' ' A' ' 5' ' ' VAL . 2.4 m-90 -127.49 175.12 8.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 107.964 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.2 t -136.22 131.69 49.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 64' ' ' ALA . 0.5 OUTLIER -75.96 128.04 34.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.432 ' CB ' ' HA3' ' A' ' 8' ' ' GLY . 10.9 m120 -120.42 176.97 5.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.443 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.4 OUTLIER -81.53 174.71 11.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 -179.937 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.707 HD13 HD23 ' A' ' 14' ' ' LEU . 9.3 mt 80.02 70.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.109 . . . . 0.0 109.371 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.523 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -85.43 161.99 49.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 -179.935 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.588 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.3 Cg_endo -74.96 159.77 97.52 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.046 -2.481 . . . . 0.0 110.999 -0.06 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.443 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 0.7 OUTLIER -139.44 108.78 6.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.543 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.42 ' ND2' ' HB2' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -135.67 177.06 8.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.933 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.842 HD11 ' SD ' ' A' ' 7' ' ' MET . 3.8 mp -122.86 102.58 11.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.26 107.83 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.717 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -87.66 109.46 19.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.087 179.927 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.758 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -86.26 112.11 21.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.173 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.11 96.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 1.128 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 44' ' ' ALA . 14.4 p-10 -119.7 73.34 0.96 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.28 -32.01 6.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.018 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -88.8 -179.33 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.77 . . . . 0.0 109.347 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.51 ' O ' HG13 ' A' ' 48' ' ' VAL . 36.1 t70 -74.22 170.14 16.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.11 -64.39 1.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.338 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.786 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -46.73 -44.8 19.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 179.975 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.496 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 87.3 m -56.72 -56.85 16.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.38 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.28 -22.79 63.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.786 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -58.19 -70.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -57.77 -38.62 75.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.258 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.866 HD22 ' CD1' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -54.3 -36.76 64.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.949 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 77.0 p -79.89 132.1 36.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.997 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.753 ' CE1' HD13 ' A' ' 41' ' ' ILE . 7.3 p80 -133.23 99.61 4.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.604 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.75 -82.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 109.327 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.55 -51.11 3.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.449 HD12 ' HZ ' ' A' ' 63' ' ' PHE . 4.1 mm? 68.12 53.51 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.11 135.52 33.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.588 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 7.9 m-85 -126.15 32.47 5.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.446 ' O ' ' ND2' ' A' ' 33' ' ' ASN . . . -120.24 -179.14 3.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -119.71 93.39 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.35 -32.28 0.54 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -74.58 117.91 16.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 0.724 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.7 m -115.47 158.44 22.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.968 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.412 ' HB3' ' ND1' ' A' ' 58' ' ' HIS . 26.3 m-85 -118.74 174.6 6.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.7 m -144.14 155.45 43.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.9 t -136.83 141.48 42.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.5 m -87.81 99.65 12.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.396 1.06 . . . . 0.0 110.324 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.599 ' CB ' HD11 ' A' ' 23' ' ' ILE . 4.5 m-30 -86.78 55.27 3.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.4 m -74.99 -70.24 0.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 110.379 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.43 124.7 83.71 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 113.84 3.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.517 1.798 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -164.92 -158.95 10.78 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.3 m -128.33 94.61 3.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 0.775 . . . . 0.0 110.345 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 1.018 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 98.4 m-85 -89.52 137.42 32.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.3 m -115.99 115.02 25.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.478 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.581 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 30.1 p90 -115.75 124.94 52.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.935 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.758 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -122.99 -178.93 4.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 111.029 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.45 ' SG ' ' ND1' ' A' ' 86' ' ' HIS . 0.5 OUTLIER -83.13 125.02 31.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.419 1.074 . . . . 0.0 108.267 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.518 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.7 OUTLIER -42.94 -50.37 13.58 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.296 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -74.97 -56.32 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.561 ' ND1' HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -80.05 58.02 2.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.595 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.4 70.42 1.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.74 41.79 0.24 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 111.041 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -118.37 -78.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -178.11 34.93 0.08 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.57 1.169 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.497 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -145.46 98.66 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 110.962 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.699 HG13 ' HB3' ' A' ' 82' ' ' TYR . 7.1 t -146.33 168.01 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.438 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -137.87 139.59 10.52 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.408 1.067 . . . . 0.0 111.073 179.944 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.36 147.84 28.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 0.778 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.717 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 51.5 t -121.55 147.69 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.6 t -143.44 104.4 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.415 HG22 ' CD2' ' A' ' 73' ' ' PHE . 59.5 t -99.98 143.26 14.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.334 -180.0 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 1.043 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.0 m -79.34 128.11 32.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.388 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.413 ' CG2' HG11 ' A' ' 21' ' ' VAL . 76.2 t -144.33 118.54 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 137.4 32.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.649 ' HE2' HD11 ' A' ' 41' ' ' ILE . 1.9 ttm -103.51 74.44 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.404 ' O ' ' CG ' ' A' ' 34' ' ' ASN . . . 119.99 104.09 2.02 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.477 1.111 . . . . 0.0 111.075 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.1 p -41.12 150.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.982 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.88 58.94 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.27 -67.74 0.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.13 53.55 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.29 114.16 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.862 ' HB3' HD22 ' A' ' 36' ' ' LEU . 1.1 pt? -74.74 100.44 4.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -145.6 177.55 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 91' ' ' MET . 63.8 m-85 -122.5 103.5 8.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 -179.947 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 1.6 tp10 -137.33 123.78 13.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.535 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.98 143.5 78.0 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.006 -2.498 . . . . 0.0 111.022 -0.058 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 p -74.53 -25.32 59.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 110.029 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.8 m -131.45 124.63 30.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.551 HG21 ' HB1' ' A' ' 3' ' ' ALA . 1.0 OUTLIER -136.96 156.89 35.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.949 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 53.1 m -121.02 104.86 10.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.396 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.569 HD13 HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -108.72 146.36 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.364 179.944 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.522 ' O ' ' CD1' ' A' ' 23' ' ' ILE . 1.0 OUTLIER -73.22 166.61 22.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.966 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.62 149.04 38.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.69 -28.44 6.44 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.41 174.59 9.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -127.4 -179.93 5.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.043 HG22 ' HB3' ' A' ' 3' ' ' ALA . 4.0 t -127.58 161.76 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.464 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 6.4 ttmt -134.73 141.07 46.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.595 ' CG ' HD13 ' A' ' 41' ' ' ILE . 2.1 m-90 -117.78 127.29 53.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.02 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.2 t -110.23 108.74 26.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -75.49 146.56 40.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.373 1.046 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 8' ' ' GLY . 9.9 m120 -123.01 -71.4 0.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -145.12 179.93 7.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.862 HD22 ' HB3' ' A' ' 14' ' ' LEU . 3.1 mp 70.24 57.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.363 -179.948 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.512 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -97.94 161.65 24.9 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 -179.935 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.512 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.95 160.24 96.82 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.093 -2.461 . . . . 0.0 111.003 -0.048 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.464 ' HB3' ' CE ' ' A' ' 7' ' ' MET . 0.2 OUTLIER -134.59 107.48 7.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.609 179.969 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.44 164.72 11.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.649 HD11 ' HE2' ' A' ' 7' ' ' MET . 5.7 mt -128.01 104.85 12.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.88 122.77 61.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.63 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -99.51 99.91 10.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.93 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -74.47 108.69 7.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.558 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -50.31 98.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.1 80.93 1.87 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.99 -27.77 9.36 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.0 HG11 ' CE1' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -97.02 -179.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.485 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -74.07 156.95 36.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.977 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -71.12 -66.66 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.43 -32.9 5.49 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.69 ' O ' HD12 ' A' ' 56' ' ' LEU . 53.6 m -66.99 -43.37 83.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.396 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.558 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -87.54 -4.55 58.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -73.01 -48.54 35.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -79.55 -40.59 29.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.831 HD21 ' CD1' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -59.81 -28.46 67.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.1 p -80.08 161.58 25.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.597 1.185 . . . . 0.0 110.003 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -135.49 99.86 4.34 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.51 1.131 . . . . 0.0 109.618 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -100.93 57.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.853 ' C ' HD22 ' A' ' 61' ' ' LEU . . . -133.86 -168.73 11.89 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.554 1.159 . . . . 0.0 111.047 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.853 HD22 ' C ' ' A' ' 60' ' ' GLY . 2.3 mm? -127.82 156.66 42.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 0.785 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.49 129.58 18.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.486 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 15.2 m-85 -133.39 43.12 2.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.68 106.91 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.24 86.31 1.09 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.79 -32.81 0.13 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.558 1.161 . . . . 0.0 111.074 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -76.21 156.33 33.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 3.3 p -144.16 128.26 17.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.972 -179.952 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -75.07 171.66 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.3 m -141.29 147.66 38.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.81 ' HB2' HD23 ' A' ' 56' ' ' LEU . 90.7 p -145.04 127.04 15.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.676 ' O ' HD11 ' A' ' 56' ' ' LEU . 99.0 m -101.87 136.51 41.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.831 ' CD1' HD21 ' A' ' 56' ' ' LEU . 3.6 m-85 -109.21 80.44 1.32 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.174 . . . . 0.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.7 p -60.71 -54.39 45.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.412 -179.947 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -88.72 126.73 58.77 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.266 179.939 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.16 104.67 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.33 -142.43 3.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.4 m -134.9 102.29 5.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 1.0 ' CE1' HG11 ' A' ' 48' ' ' VAL . 98.2 m-85 -97.25 140.16 32.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 111.084 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 p -121.73 111.91 17.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.399 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.623 ' HE1' HG23 ' A' ' 95' ' ' VAL . 39.6 p90 -110.18 142.11 42.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.93 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -144.98 173.17 12.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 -179.969 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 1.108 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 57.3 m -79.62 129.16 34.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 108.316 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.489 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -54.68 -52.33 71.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.341 179.964 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.09 -47.34 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.785 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.01 46.11 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.622 179.949 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.478 ' CA ' ' O ' ' A' ' 83' ' ' CYS . 10.9 ttt180 -66.68 -46.65 74.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.38 39.38 2.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -92.3 -78.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -176.45 33.57 0.08 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.467 1.105 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 91' ' ' MET . . . . . 1.108 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER -145.66 117.2 8.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 111.046 179.994 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.47 HG12 ' N ' ' A' ' 93' ' ' GLY . 25.0 t -145.67 166.15 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.226 -179.941 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.52 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -143.87 151.65 23.54 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.21 110.07 8.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.623 HG23 ' HE1' ' A' ' 81' ' ' TYR . 55.6 t -98.91 141.57 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.9 t -125.25 134.62 66.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.72 HG21 ' CD2' ' A' ' 73' ' ' PHE . 97.5 t -128.48 147.88 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.963 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.549 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.9 m -144.15 129.34 18.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.422 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.88 HG22 ' HD2' ' A' ' 18' ' ' PRO . 64.3 t -135.19 126.43 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.632 1.207 . . . . 0.0 109.244 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -97.72 145.01 26.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.497 ' CG ' ' O ' ' A' ' 7' ' ' MET . 0.6 OUTLIER -109.69 101.04 9.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.935 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.509 ' HA3' HD12 ' A' ' 36' ' ' LEU . . . 108.77 93.8 2.3 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.5 p -49.26 143.29 6.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 0.781 . . . . 0.0 110.015 -179.94 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -77.02 58.84 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.4 t -148.06 -60.66 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.026 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.3 43.48 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.97 117.24 8.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 0.799 . . . . 0.0 109.314 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.835 ' HA ' HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -80.91 100.4 8.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.0 m -144.39 172.22 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.511 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 28.5 m-85 -115.43 105.67 13.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 9.5 mt-10 -133.77 133.4 22.3 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.88 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.3 Cg_endo -74.98 132.47 27.66 Favored 'Cis proline' 0 C--N 1.359 1.121 0 C-N-CA 121.089 -2.463 . . . . 0.0 110.958 -0.031 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.435 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 88.0 p -52.41 -36.64 54.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 110.027 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -127.83 138.74 52.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.671 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.1 m -141.67 156.89 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.0 m -124.23 101.58 7.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.117 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.633 HD13 HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -110.25 146.41 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.594 1.184 . . . . 0.0 109.406 179.914 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.498 ' O ' ' CD1' ' A' ' 23' ' ' ILE . 16.5 mttt -73.83 168.7 18.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.383 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.87 145.74 36.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.17 -17.0 40.11 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.536 1.147 . . . . 0.0 110.975 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.49 177.44 8.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -128.34 168.83 14.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.568 ' HB ' ' CZ3' ' A' ' 31' ' ' TRP . 36.1 t -132.88 136.68 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.96 145.7 30.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CZ3' ' HB ' ' A' ' 29' ' ' VAL . 8.4 m-90 -124.86 121.7 35.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.04 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.7 t -106.57 129.35 60.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -97.27 153.38 18.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.591 1.182 . . . . 0.0 109.26 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -135.18 -85.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.85 178.67 6.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.835 HD13 ' HA ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER 79.74 30.53 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 179.969 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.52 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -70.2 161.83 73.35 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 179.976 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.52 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.98 162.44 92.84 Favored 'Cis proline' 0 C--N 1.361 1.206 0 C-N-CA 121.035 -2.485 . . . . 0.0 110.99 -0.003 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.525 ' CE1' ' SG ' ' A' ' 83' ' ' CYS . 0.6 OUTLIER -139.6 103.12 4.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.649 179.927 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -119.23 141.83 48.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 58' ' ' HIS . 13.0 mm -93.25 98.27 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.788 HG13 ' HG3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -101.9 101.17 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.63 ' CE2' ' CB ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -65.68 125.21 24.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 -179.969 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -104.75 100.0 9.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.18 98.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -122.48 60.49 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.5 -17.24 8.39 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.575 1.172 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.1 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -102.32 178.88 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.28 -179.939 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.472 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -83.84 139.15 32.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.947 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -56.51 -52.09 66.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.461 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 4.4 m-20 -46.06 -54.91 7.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.915 ' O ' HD12 ' A' ' 56' ' ' LEU . 34.4 m -55.9 -35.24 66.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 179.969 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.437 ' HB1' ' HB3' ' A' ' 43' ' ' PHE . . . -76.31 -24.41 54.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.578 1.174 . . . . 0.0 109.287 -179.925 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -67.2 -28.01 67.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.78 -38.32 19.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.915 HD12 ' O ' ' A' ' 52' ' ' THR . 1.9 mp -84.97 0.44 51.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.244 -179.912 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.2 m -82.02 153.54 26.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.026 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.59 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 86.8 m-70 -144.84 101.91 3.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.563 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.788 ' HG3' HG13 ' A' ' 42' ' ' VAL . 1.7 mtmp? -132.89 30.37 4.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -88.32 15.75 55.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.14 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.691 ' CD1' ' CE2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER 75.93 161.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 0.751 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.586 ' O ' ' CD1' ' A' ' 63' ' ' PHE . . . -145.0 106.23 4.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.691 ' CE2' ' CD1' ' A' ' 61' ' ' LEU . 10.3 m-85 -158.16 44.62 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.606 ' HB3' ' OE2' ' A' ' 67' ' ' GLU . . . -144.55 100.25 3.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.86 117.8 3.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.0 24.59 6.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.606 ' OE2' ' HB3' ' A' ' 64' ' ' ALA . 4.2 mt-10 -112.78 123.18 49.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 110.321 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 6.7 p -126.66 121.54 32.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.59 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 17.6 m-85 -78.96 171.18 15.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.9 m -143.72 147.1 33.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.468 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.728 ' OG ' HD23 ' A' ' 56' ' ' LEU . 9.5 p -143.45 145.65 32.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 110.026 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.777 ' O ' HD11 ' A' ' 56' ' ' LEU . 21.9 m -117.18 135.66 53.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.421 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.799 ' CD2' HG21 ' A' ' 97' ' ' VAL . 3.6 m-85 -104.69 82.14 1.86 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.7 p -52.81 -70.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.592 1.182 . . . . 0.0 110.467 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 0.6 OUTLIER -86.39 142.92 35.77 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 18.2 Cg_endo -75.01 120.31 6.01 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.472 1.775 . . . . 0.0 111.04 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -164.84 -138.8 2.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.724 HG21 ' HE3' ' A' ' 94' ' ' LYS . 20.2 m -143.49 119.91 10.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 0.8 . . . . 0.0 110.411 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 1.1 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 96.9 m-85 -113.29 106.86 15.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.402 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 54.1 m -88.28 110.41 20.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.362 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.597 ' OH ' HG11 ' A' ' 5' ' ' VAL . 39.1 p90 -113.73 131.31 56.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.552 1.158 . . . . 0.0 110.985 179.952 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -130.79 169.23 15.99 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.748 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 20.4 m -77.54 129.57 35.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 108.274 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 3.0 tt0 -63.16 -51.57 68.66 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -75.0 -12.66 21.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.588 1.836 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -137.83 52.83 1.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.597 -179.95 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.528 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -67.14 -56.95 7.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.225 -179.96 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.21 48.91 1.25 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.11 45.2 2.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.465 0.744 . . . . 0.0 109.35 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 50.17 39.35 34.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.748 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER -134.69 99.3 4.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.526 0.78 . . . . 0.0 110.962 179.95 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.523 HG12 ' H ' ' A' ' 93' ' ' GLY . 18.5 t -145.9 171.24 4.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.523 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -151.89 138.16 6.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.724 ' HE3' HG21 ' A' ' 78' ' ' THR . 4.4 tttt -126.41 115.86 20.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 0.78 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.01 133.14 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.246 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.6 t -110.92 133.0 57.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.799 HG21 ' CD2' ' A' ' 73' ' ' PHE . 82.7 t -129.23 140.97 47.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.924 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.266 -179.944 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 1.06 ' HB2' HG21 ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 49.7 m -136.36 118.46 15.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.434 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.8 t -125.79 150.12 30.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -140.44 123.48 16.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.7 ptp -84.06 145.72 28.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.962 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' SER . . . 68.32 92.18 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.142 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' GLY . 2.4 m -38.6 149.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -74.08 59.18 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -148.96 -70.46 0.21 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.482 1.114 . . . . 0.0 110.062 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.55 43.05 0.03 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.1 . . . . 0.0 111.067 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.22 150.36 36.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.48 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -97.58 102.26 13.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -143.47 156.75 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.4 1.062 . . . . 0.0 109.316 179.946 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -100.97 111.06 23.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -140.45 123.89 10.31 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.275 179.948 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.69 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.5 Cg_endo -74.99 135.7 41.74 Favored 'Cis proline' 0 C--N 1.361 1.222 0 C-N-CA 121.032 -2.487 . . . . 0.0 111.027 0.028 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.0 p -57.63 -33.27 68.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.015 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.5 m -133.65 131.09 39.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 0.0 110.425 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.69 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -127.59 137.65 57.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.6 m -122.34 101.22 7.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.428 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 1.06 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.1 pp -108.16 -179.02 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.545 1.153 . . . . 0.0 109.36 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.565 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -78.01 179.4 6.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.706 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -98.18 89.0 4.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.62 -14.6 2.23 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.478 ' HB3' HD13 ' A' ' 23' ' ' ILE . 1.6 tp10 -74.71 -179.67 4.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -122.87 173.9 7.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.26 -179.972 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.89 HG22 ' HB3' ' A' ' 3' ' ' ALA . 77.7 t -134.91 159.95 41.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -135.28 147.78 49.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.475 ' CD1' HD13 ' A' ' 41' ' ' ILE . 6.4 m-90 -128.16 143.33 51.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 108.01 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.5 t -132.82 140.24 47.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.17 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -94.9 148.5 22.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -133.75 -88.87 0.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.55 ' HB3' HD22 ' A' ' 36' ' ' LEU . 2.3 mmtt -119.38 -179.7 3.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.63 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 1.7 mm? 60.9 71.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.238 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.587 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -126.17 164.95 30.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 110.008 179.966 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.587 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -74.99 153.46 99.18 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.981 -0.032 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.63 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -142.26 125.15 16.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.582 -179.982 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -103.12 173.68 6.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.173 . . . . 0.0 109.288 179.963 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.475 HD13 ' CD1' ' A' ' 31' ' ' TRP . 81.2 mt -132.97 102.06 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.357 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.475 ' CG1' ' HG2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -104.46 161.59 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.936 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -138.92 97.63 3.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 -179.986 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -77.29 114.29 15.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.16 96.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 44' ' ' ALA . 7.3 p-10 -109.91 66.86 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.82 -26.04 9.15 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.467 1.104 . . . . 0.0 111.075 -179.958 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.037 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -90.42 -179.51 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.524 ' H ' HG22 ' A' ' 48' ' ' VAL . 3.6 m-20 -74.78 170.69 15.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -84.17 -64.78 1.1 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.238 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.62 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 2.0 m-20 -46.17 -39.69 10.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.503 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 19.4 m -60.83 -55.4 33.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.47 -2.8 30.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.94 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -73.33 -48.41 34.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -85.14 -37.43 20.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -32.02 69.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.8 p -79.04 155.83 28.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.0 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -128.08 100.04 5.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.619 -179.968 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.475 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -93.8 29.76 1.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -180.0 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.29 -171.89 43.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.615 HD12 ' CE1' ' A' ' 63' ' ' PHE . 0.7 OUTLIER -126.89 146.46 50.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.55 116.67 29.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.615 ' CE1' HD12 ' A' ' 61' ' ' LEU . 17.8 m-30 -124.24 -47.69 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.23 128.97 34.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.35 67.22 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 169.75 41.86 0.03 OUTLIER Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.428 1.08 . . . . 0.0 111.028 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -122.22 101.34 7.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 0.729 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.0 p -104.29 145.09 30.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.933 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -104.31 172.32 6.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.4 m -144.29 148.92 35.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 110.413 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.4 p -143.32 164.63 29.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.983 -179.966 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.4 m -120.97 113.07 19.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.771 ' CB ' HD11 ' A' ' 23' ' ' ILE . 5.4 m-30 -92.99 68.8 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.8 m -84.59 -60.56 2.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 110.478 179.904 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.5 123.6 88.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 110.77 3.18 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.456 1.767 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.6 -146.52 4.43 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.142 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.5 m -145.14 87.53 1.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 0.754 . . . . 0.0 110.482 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 1.037 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 94.9 m-85 -81.37 143.34 32.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.936 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.0 m -126.52 115.45 19.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.419 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.583 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 28.6 p90 -116.83 135.43 53.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 111.049 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.426 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -142.78 -179.43 6.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 111.026 179.956 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.61 ' SG ' ' CE1' ' A' ' 39' ' ' HIS . 1.7 t -85.35 118.97 25.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 108.355 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 2.9 mt-10 -36.75 -53.69 1.81 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.315 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.1 Cg_endo -75.02 -48.2 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.481 1.779 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -95.76 53.09 1.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 109.501 -179.892 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 83' ' ' CYS . 2.3 ptp180 -82.91 53.89 2.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.72 51.08 0.14 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.485 1.115 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -123.9 26.07 7.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 113.1 -26.94 9.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.431 ' HG3' ' O ' ' A' ' 91' ' ' MET . 26.0 ptm -109.46 119.75 40.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 0.762 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.546 HG12 ' N ' ' A' ' 93' ' ' GLY . 91.2 t -146.24 168.34 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.546 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -133.15 133.53 7.05 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.426 1.079 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.34 119.36 24.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 109.368 179.937 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.454 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 2.3 t -109.47 144.95 16.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.1 t -140.62 105.41 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.916 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.573 HG22 ' CD2' ' A' ' 73' ' ' PHE . 61.3 t -87.82 141.41 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.706 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 3.5 t0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.935 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.949 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 89.7 m -81.1 130.08 34.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.418 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.722 HG21 HG11 ' A' ' 21' ' ' VAL . 42.1 t -145.18 105.39 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.368 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.56 121.79 22.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -29.51 69.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -122.35 -149.53 7.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 111.064 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -126.38 161.56 27.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 110.004 179.915 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -74.23 68.14 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.3 t 70.83 81.38 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.12 -79.31 0.04 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.547 1.154 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -143.33 179.29 7.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.46 100.06 9.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.4 m -145.05 150.58 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.565 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 64.0 m-85 -91.79 121.09 33.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.468 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 9.7 tt0 -144.23 123.36 7.15 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.301 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.791 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.97 129.25 18.12 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.019 -0.016 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.412 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 46.0 p -51.17 -30.59 17.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.399 1.062 . . . . 0.0 109.961 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.0 m -127.3 110.42 12.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.41 179.965 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.791 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -115.91 132.77 64.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.925 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.6 m -127.03 102.8 7.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.421 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.879 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.5 pt -107.44 179.0 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 0.0 109.352 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -75.81 171.75 13.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.707 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -89.07 126.65 35.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.56 1.162 . . . . 0.0 109.255 -179.925 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.623 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 108.7 -17.61 32.93 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.934 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.429 ' HB3' HD12 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -78.44 -179.62 6.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.803 . . . . 0.0 110.343 179.917 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -123.45 180.0 4.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.949 HG22 ' HB3' ' A' ' 3' ' ' ALA . 2.8 t -144.49 147.98 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.402 1.064 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -120.34 155.73 32.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.411 1.069 . . . . 0.0 109.277 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.634 ' CG ' HD13 ' A' ' 41' ' ' ILE . 19.3 m-90 -134.78 109.78 8.78 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.6 t -74.89 136.08 25.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -75.1 116.78 16.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.597 1.186 . . . . 0.0 109.372 179.954 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -102.99 -174.04 2.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.933 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.788 ' C ' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -75.01 178.36 5.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.788 HD12 ' C ' ' A' ' 35' ' ' LYS . 2.2 mp 74.51 26.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.54 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -64.52 162.46 34.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.023 179.948 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.54 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.01 161.46 94.8 Favored 'Cis proline' 0 C--N 1.361 1.216 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.992 -0.037 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.606 ' HD1' ' HG ' ' A' ' 83' ' ' CYS . 0.8 OUTLIER -139.25 101.77 4.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.618 -179.936 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -101.93 170.09 8.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.634 HD13 ' CG ' ' A' ' 31' ' ' TRP . 6.1 mt -132.73 98.75 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -99.7 118.14 45.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.662 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 0.6 OUTLIER -80.41 93.56 6.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.914 -179.945 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -75.46 108.14 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.923 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.49 99.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -116.63 53.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.12 -7.9 8.06 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.048 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 1.5 p -105.51 -179.61 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.357 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.591 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -76.18 143.38 41.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.599 1.187 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.54 -61.58 2.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.219 -179.977 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.594 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 5.0 m-20 -46.54 -39.39 10.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.956 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.566 HG21 ' OH ' ' A' ' 79' ' ' TYR . 43.3 m -63.43 -53.34 53.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.662 ' HB1' ' O ' ' A' ' 43' ' ' PHE . . . -59.02 -26.51 64.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -59.82 -55.34 35.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -69.65 -32.85 71.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.656 HD12 ' CE1' ' A' ' 79' ' ' TYR . 12.4 mt -82.6 1.13 39.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 2.6 m -101.05 156.09 17.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.971 -179.944 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.508 ' CE1' ' CD1' ' A' ' 69' ' ' PHE . 28.1 m-70 -135.88 98.52 3.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.6 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -94.0 25.0 3.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.43 -162.87 38.62 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 mp -144.03 165.73 26.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.07 123.25 12.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.504 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 11.0 m-85 -129.92 13.54 5.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -129.16 151.9 49.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.13 63.78 5.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.32 37.67 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -135.78 101.28 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 110.289 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 0.9 OUTLIER -112.93 130.62 56.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.508 ' CD1' ' CE1' ' A' ' 58' ' ' HIS . 5.7 m-85 -82.98 171.93 13.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.426 1.079 . . . . 0.0 111.051 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 6.2 m -138.02 152.17 48.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 -179.951 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.438 ' OG ' HD22 ' A' ' 56' ' ' LEU . 41.9 t -142.01 142.83 32.94 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.495 ' O ' HD21 ' A' ' 56' ' ' LEU . 74.6 m -87.05 117.17 25.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.445 1.091 . . . . 0.0 110.367 -179.937 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.78 ' CD2' HD11 ' A' ' 23' ' ' ILE . 3.3 m-30 -104.57 64.1 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.623 HG22 ' HA2' ' A' ' 26' ' ' GLY . 0.7 OUTLIER -90.52 -57.1 2.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.464 179.975 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.21 119.35 64.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.418 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.96 101.22 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.448 1.762 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.68 -154.88 7.56 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.0 m -124.68 126.52 45.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 0.739 . . . . 0.0 110.316 -179.87 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 1.048 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 88.3 m-85 -120.05 105.83 11.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.5 m -80.61 100.18 8.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.418 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.555 ' CE1' ' HA3' ' A' ' 93' ' ' GLY . 20.9 p90 -107.95 132.1 53.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 111.045 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.705 ' HB3' HG13 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -144.19 -179.6 6.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.606 ' HG ' ' HD1' ' A' ' 39' ' ' HIS . 0.4 OUTLIER -83.34 131.06 35.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 108.336 179.982 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.522 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 3.1 mt-10 -46.96 -50.33 45.71 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.03 -57.59 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.495 1.787 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -85.68 68.03 10.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.62 -64.01 1.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 179.931 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.21 50.0 0.86 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.71 -34.07 6.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 147.85 -20.85 1.45 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.565 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -91.16 102.92 15.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 0.747 . . . . 0.0 110.974 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.705 HG13 ' HB3' ' A' ' 82' ' ' TYR . 4.1 t -146.06 149.25 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.555 ' HA3' ' CE1' ' A' ' 81' ' ' TYR . . . -119.19 154.78 16.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.493 1.12 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -127.99 112.65 14.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 0.806 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.596 HG13 ' CE2' ' A' ' 73' ' ' PHE . 2.8 t -95.98 139.85 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.7 t -139.94 110.99 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.611 HG22 ' CD2' ' A' ' 73' ' ' PHE . 93.9 t -93.37 144.81 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.707 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 1.043 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 m -82.93 130.83 35.19 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.536 1.148 . . . . 0.0 110.362 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.6 HG11 ' OH ' ' A' ' 81' ' ' TYR . 70.2 t -144.9 106.7 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.22 138.44 38.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.497 ' CE ' ' O ' ' A' ' 39' ' ' HIS . 1.9 ptm -89.32 43.24 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.387 1.054 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 169.28 -141.39 6.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.394 1.059 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.5 m -156.97 141.36 16.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.055 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -76.8 66.95 2.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.396 1.06 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.83 -79.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.91 41.14 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 111.046 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.72 140.74 28.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.023 HD12 ' SD ' ' A' ' 91' ' ' MET . 0.9 OUTLIER -97.51 98.97 10.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -146.1 149.52 16.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.402 ' CD1' ' HE2' ' A' ' 81' ' ' TYR . 75.1 m-85 -88.18 120.0 29.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 2.8 tt0 -141.97 117.34 6.93 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.252 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.685 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -74.94 138.47 56.27 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.974 -2.511 . . . . 0.0 110.996 -0.068 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.6 p -65.25 -31.52 72.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 0.0 110.003 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.0 m -129.59 123.89 32.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.685 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.2 m -127.3 155.89 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.0 m -138.65 100.74 4.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.378 -179.931 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.907 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.3 pp -108.11 -178.86 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.672 ' O ' HD12 ' A' ' 23' ' ' ILE . 20.6 mmtt -74.37 177.72 5.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.233 -179.929 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.451 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . . . -100.34 91.72 4.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.88 -15.03 2.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.914 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.643 ' HB3' HD13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -75.41 174.54 9.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 110.315 179.955 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.451 ' HG3' ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -119.16 147.49 44.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 110.246 -179.956 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.043 HG22 ' HB3' ' A' ' 3' ' ' ALA . 3.0 t -116.85 140.92 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -120.07 155.02 33.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.243 -179.952 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.403 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 18.6 m-90 -120.76 168.21 11.67 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.3 t -145.23 129.63 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -98.57 134.39 41.58 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -119.72 -73.73 0.63 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.558 1.161 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.04 172.56 12.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.372 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.674 HD22 HD22 ' A' ' 14' ' ' LEU . 0.4 OUTLIER 71.95 71.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 179.969 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -124.62 159.95 55.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.398 1.061 . . . . 0.0 109.991 -179.976 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.851 ' HB2' HD12 ' A' ' 61' ' ' LEU . 18.5 Cg_endo -75.04 157.08 99.8 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.051 -2.479 . . . . 0.0 110.994 0.004 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.651 ' CD2' ' SG ' ' A' ' 83' ' ' CYS . 0.3 OUTLIER -142.24 112.19 6.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 109.594 -179.975 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.41 ' HB3' HD13 ' A' ' 61' ' ' LEU . 1.7 p-10 -96.58 172.06 8.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.538 HG23 ' HB2' ' A' ' 81' ' ' TYR . 25.5 mt -134.25 104.22 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 -179.966 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -107.07 122.2 60.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.407 1.067 . . . . 0.0 109.322 -179.991 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.629 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -94.6 95.89 9.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.878 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -73.85 121.45 20.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.85 99.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -121.25 55.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.935 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 132.54 -13.67 5.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.605 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -112.59 177.96 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 0.782 . . . . 0.0 109.327 179.955 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.504 ' O ' HG13 ' A' ' 48' ' ' VAL . 26.1 t0 -74.59 170.59 15.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 1.069 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -80.06 -70.14 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.24 -179.957 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.627 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 2.9 m-20 -39.55 -38.38 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.631 HG22 ' HE2' ' A' ' 79' ' ' TYR . 6.1 m -63.02 -54.24 41.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.79 -11.54 60.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -63.31 -63.81 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -36.88 83.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.021 HD11 ' O ' ' A' ' 72' ' ' THR . 0.1 OUTLIER -62.89 -30.67 71.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.6 m -74.71 162.2 28.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.952 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.468 ' ND1' ' CD1' ' A' ' 69' ' ' PHE . 82.4 m-70 -140.61 99.76 3.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.621 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -84.89 -51.76 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -43.95 107.2 0.12 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.946 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.851 HD12 ' HB2' ' A' ' 38' ' ' PRO . 4.1 mm? -53.48 -173.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.06 124.07 15.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.214 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.532 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 8.8 m-85 -125.5 45.26 2.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.11 126.1 14.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.47 90.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.24 -179.911 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 130.94 45.21 0.16 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -96.3 127.22 42.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 110.246 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.0 m -132.04 112.19 12.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.014 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.468 ' CD1' ' ND1' ' A' ' 58' ' ' HIS . 1.4 m-85 -87.35 170.13 11.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.451 ' CG2' ' HG3' ' A' ' 28' ' ' GLU . 12.3 m -128.17 151.15 49.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.46 ' OG ' ' CD2' ' A' ' 56' ' ' LEU . 29.0 t -144.46 138.13 27.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.043 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 72' ' ' THR . . . . . 1.021 ' O ' HD11 ' A' ' 56' ' ' LEU . 17.4 m -97.34 115.32 27.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 110.451 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.709 ' CB ' HD11 ' A' ' 23' ' ' ILE . 3.5 m-30 -96.8 52.32 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.056 179.959 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.0 m -74.18 -65.98 0.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.7 122.52 74.69 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 105.76 2.14 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.447 1.762 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.33 -141.68 3.25 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.939 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 18.6 m -145.01 97.33 3.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.407 0.71 . . . . 0.0 110.401 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.691 ' CD2' HD22 ' A' ' 56' ' ' LEU . 85.9 m-85 -88.11 134.45 33.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 111.088 179.907 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.417 HG22 ' HG2' ' A' ' 94' ' ' LYS . 41.7 p -117.72 109.58 16.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.416 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.611 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 34.3 p90 -110.34 127.68 55.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.878 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -133.77 176.64 8.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 -179.98 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.651 ' SG ' ' CD2' ' A' ' 39' ' ' HIS . 0.5 OUTLIER -84.55 135.9 34.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 108.367 179.931 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.508 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 2.0 mt-10 -56.3 -51.07 83.78 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -75.0 -47.79 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.443 1.76 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.601 ' CE1' HD13 ' A' ' 14' ' ' LEU . 29.5 m80 -92.29 36.66 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.389 1.056 . . . . 0.0 109.566 -179.933 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.549 ' CG ' ' CD1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -74.35 91.34 2.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 -179.945 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.92 12.53 57.71 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -179.938 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.81 -34.53 62.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 0.737 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.56 -35.27 0.17 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 0.0 111.076 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 91' ' ' MET . . . . . 1.023 ' SD ' HD12 ' A' ' 14' ' ' LEU . 11.4 ptm -96.78 120.8 37.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 0.781 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.603 HG13 ' HB3' ' A' ' 82' ' ' TYR . 3.3 t -147.23 153.46 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.414 ' HA3' ' CE1' ' A' ' 81' ' ' TYR . . . -118.0 151.05 18.09 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.417 ' HG2' HG22 ' A' ' 80' ' ' THR . 0.2 OUTLIER -141.32 93.79 2.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 0.795 . . . . 0.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.666 HG21 ' HZ ' ' A' ' 73' ' ' PHE . 1.4 t -81.08 148.34 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 0.0 109.268 179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.8 t -139.49 112.92 6.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.944 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.497 HG22 ' CD2' ' A' ' 73' ' ' PHE . 26.3 t -93.13 147.62 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.9 t70 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -75.6 130.58 39.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.691 ' HB2' HG21 ' A' ' 23' ' ' ILE . . . -110.32 158.79 18.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.2 m -142.53 126.82 17.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.388 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.938 HG22 ' HD2' ' A' ' 18' ' ' PRO . 79.1 t -129.37 139.71 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.11 132.35 52.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.828 ' CG ' HD11 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -79.01 52.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 110.967 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 162.71 -139.84 6.16 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.494 ' HB3' HG22 ' A' ' 15' ' ' VAL . 86.6 p -156.03 143.41 19.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.17 69.41 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -168.63 -68.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.002 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.85 47.8 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.06 131.53 19.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.0 HD23 HD22 ' A' ' 36' ' ' LEU . 1.7 pp -80.33 100.46 8.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.494 HG22 ' HB3' ' A' ' 9' ' ' SER . 33.8 m -142.85 168.73 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.568 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 29.9 m-85 -118.92 102.19 8.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.491 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.1 tt0 -129.53 135.88 28.23 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.938 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.4 Cg_endo -74.97 133.77 32.89 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.017 0.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.426 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 59.5 p -54.62 -23.18 15.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.962 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.9 m -142.57 129.31 20.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.43 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.84 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -129.46 144.31 38.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.3 m -128.37 119.49 25.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.385 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.71 HD11 ' CB ' ' A' ' 73' ' ' PHE . 1.1 pp -131.35 -179.35 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.593 ' O ' HD12 ' A' ' 23' ' ' ILE . 49.4 mttt -74.56 176.66 6.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.72 92.58 5.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.92 -16.36 2.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.458 1.099 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.453 ' HB3' HD13 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -78.48 172.26 13.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 110.27 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.61 175.97 5.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.555 HG22 ' HB3' ' A' ' 3' ' ' ALA . 88.7 t -142.11 136.95 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -112.42 145.24 40.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 8.8 m-90 -110.27 175.18 5.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 108.006 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.1 t -143.41 145.42 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.539 ' OD1' ' HB1' ' A' ' 62' ' ' ALA . 0.5 OUTLIER -78.96 145.34 34.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -137.64 -163.04 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -87.39 -179.88 6.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.238 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.0 HD22 HD23 ' A' ' 14' ' ' LEU . 1.2 mp 68.41 32.87 4.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.557 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -74.89 163.11 70.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.011 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.571 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.4 Cg_endo -74.97 163.37 90.86 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.033 -0.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 7' ' ' MET . 1.3 m-70 -130.12 99.81 5.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.578 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 60' ' ' GLY . 7.1 m-20 -83.02 168.11 17.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.828 HD11 ' CG ' ' A' ' 7' ' ' MET . 44.2 mt -145.09 99.93 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.36 120.2 64.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.583 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -90.87 95.75 10.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.881 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -74.73 119.82 19.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.4 95.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.8 OUTLIER -121.26 73.86 1.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.369 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.76 -24.95 13.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.683 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -103.5 -179.69 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.516 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -74.78 170.97 14.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -82.84 -69.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.701 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 4.2 m-20 -43.1 -39.84 2.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.612 HG22 ' HE2' ' A' ' 79' ' ' TYR . 1.5 m -61.49 -61.21 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.412 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.447 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -63.37 -13.54 40.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -65.21 -63.14 1.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -59.09 -27.88 65.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.784 HD11 ' O ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -78.38 -29.47 47.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 53' ' ' ALA . 82.4 p -74.61 155.08 38.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.995 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -132.23 100.15 4.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.621 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -86.23 49.36 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.858 ' C ' HD23 ' A' ' 61' ' ' LEU . . . -118.47 -143.04 7.14 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.858 HD23 ' C ' ' A' ' 60' ' ' GLY . 0.0 OUTLIER -159.78 -176.22 5.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 0.724 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.539 ' HB1' ' OD1' ' A' ' 33' ' ' ASN . . . -144.91 125.33 13.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 13.1 m-85 -133.32 -43.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.48 131.97 34.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.13 97.13 8.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.57 -25.23 0.44 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -75.79 140.74 42.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 110.321 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.5 m -135.9 164.86 26.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.165 . . . . 0.0 109.988 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -119.78 172.98 7.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.4 m -136.88 150.55 48.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 110.397 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.0 t -145.07 137.67 26.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.969 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.784 ' O ' HD11 ' A' ' 56' ' ' LEU . 15.3 m -93.61 123.01 36.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 110.364 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.71 ' CB ' HD11 ' A' ' 23' ' ' ILE . 4.1 m-30 -103.2 43.75 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.1 m -66.16 -69.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.379 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.5 124.4 75.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.326 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 112.75 3.63 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -166.1 -153.83 7.92 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.47 1.107 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 t -134.6 109.85 8.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 110.393 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.683 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 81.9 m-85 -101.88 133.33 46.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.3 m -118.58 110.9 17.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.427 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.911 ' OH ' HG11 ' A' ' 5' ' ' VAL . 36.3 p90 -110.65 129.79 55.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.881 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -127.09 178.55 5.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 87' ' ' ARG . 0.1 OUTLIER -80.94 126.16 31.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 108.274 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.514 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -61.71 -50.5 81.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.1 Cg_endo -75.01 -16.96 19.91 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.477 1.777 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.99 45.48 2.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.586 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.2 OUTLIER -76.24 -0.43 22.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.255 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -151.0 59.08 0.43 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.53 -50.34 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 146.97 46.28 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.568 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -143.58 99.27 3.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 111.014 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.518 HG22 ' N ' ' A' ' 93' ' ' GLY . 3.0 p -145.95 167.32 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.518 ' N ' HG22 ' A' ' 92' ' ' VAL . . . -141.74 158.1 26.52 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.85 144.07 50.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.744 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.556 HG13 ' CE2' ' A' ' 73' ' ' PHE . 24.5 t -125.08 150.57 30.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.5 t -144.77 116.12 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.625 HG11 ' O ' ' A' ' 73' ' ' PHE . 35.3 t -105.2 142.87 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -144.86 178.19 8.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.339 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.966 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -77.03 120.24 21.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.6 m -75.49 128.2 34.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.678 HG13 ' HD2' ' A' ' 18' ' ' PRO . 34.3 t -145.11 101.37 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -82.02 127.01 32.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.547 1.155 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.419 ' HB2' ' CE1' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -94.96 37.1 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 177.8 136.85 2.6 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.7 p -77.06 134.14 38.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 110.016 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.416 ' OD1' ' ND2' ' A' ' 34' ' ' ASN . 16.0 m-20 -74.8 64.04 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.14 -72.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.022 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.08 38.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.43 1.081 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.07 157.74 44.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 0.782 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.817 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -104.61 100.55 10.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.24 -179.895 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.0 m -139.88 132.15 34.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.58 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 31.3 m-85 -83.47 118.62 23.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 111.088 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.7 tt0 -138.12 134.02 17.64 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.288 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.931 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.0 132.31 27.14 Favored 'Cis proline' 0 C--N 1.361 1.209 0 C-N-CA 121.06 -2.475 . . . . 0.0 110.971 0.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.451 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 15.8 t -44.3 -37.4 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.013 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -131.55 109.83 10.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.354 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.931 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -105.65 131.86 54.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.711 HG23 HG12 ' A' ' 96' ' ' VAL . 24.7 m -122.33 102.86 8.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.602 1.189 . . . . 0.0 110.359 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.905 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.3 pt -116.33 -179.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.257 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.54 172.93 12.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.24 126.66 36.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.16 -4.61 41.29 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.468 1.105 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.482 ' HB3' HD12 ' A' ' 23' ' ' ILE . 2.0 tt0 -88.9 -179.79 6.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 2' ' ' ASN . 0.5 OUTLIER -127.88 151.65 48.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.966 HG22 ' HB3' ' A' ' 3' ' ' ALA . 5.6 t -122.32 119.36 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.71 147.36 26.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.623 ' CG ' HD13 ' A' ' 41' ' ' ILE . 3.0 m-90 -123.33 122.68 38.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.1 t -87.03 134.92 26.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.439 1.087 . . . . 0.0 109.359 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -77.74 116.66 18.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.358 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.416 ' ND2' ' OD1' ' A' ' 10' ' ' ASP . 1.7 t-20 -103.24 -167.19 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -76.15 175.36 9.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.247 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.817 HD13 ' HB3' ' A' ' 14' ' ' LEU . 0.3 OUTLIER 77.9 69.82 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.525 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -114.67 161.89 26.46 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 110.034 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.525 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.05 140.51 67.69 Favored 'Cis proline' 0 C--N 1.359 1.116 0 C-N-CA 120.932 -2.528 . . . . 0.0 111.004 0.02 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.669 ' H ' ' HB3' ' A' ' 62' ' ' ALA . 0.6 OUTLIER -140.45 100.07 3.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.645 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -94.62 173.16 7.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.623 HD13 ' CG ' ' A' ' 31' ' ' TRP . 79.0 mt -117.86 107.41 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.212 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.484 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -108.41 132.94 54.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.243 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.716 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -91.74 92.14 8.28 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.539 1.149 . . . . 0.0 111.019 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -74.43 99.95 3.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.23 97.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -110.05 62.6 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.382 1.051 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 118.86 -22.15 9.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.447 1.092 . . . . 0.0 111.047 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.979 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 2.5 p -91.27 179.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.64 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -76.04 133.95 40.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.62 -50.65 73.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.242 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.38 -37.08 46.31 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.683 ' O ' HD12 ' A' ' 56' ' ' LEU . 92.9 m -72.53 -39.83 67.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.363 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.716 ' HB1' ' O ' ' A' ' 43' ' ' PHE . . . -70.18 -18.33 63.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.414 1.072 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.78 -35.3 38.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -78.41 -18.96 54.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.947 HD21 ' O ' ' A' ' 72' ' ' THR . 1.1 mp -104.98 -3.73 22.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.59 151.79 22.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 110.044 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' ILE . 26.6 m80 -140.63 99.93 3.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.599 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.484 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 2.3 mttt -97.29 43.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.483 ' C ' HD22 ' A' ' 61' ' ' LEU . . . -87.59 -171.13 46.89 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.441 1.088 . . . . 0.0 110.961 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.483 HD22 ' C ' ' A' ' 60' ' ' GLY . 3.5 mm? -120.3 114.67 22.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.669 ' HB3' ' H ' ' A' ' 39' ' ' HIS . . . -88.24 118.14 27.62 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -140.63 -47.46 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.19 114.57 24.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.08 93.93 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.36 -31.74 0.15 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.437 1.086 . . . . 0.0 110.986 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -75.09 127.3 32.9 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.446 0.733 . . . . 0.0 110.279 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.9 p -124.08 142.6 51.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.42 ' HB3' ' CD2' ' A' ' 58' ' ' HIS . 22.0 m-85 -96.25 170.74 9.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.39 124.72 13.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.444 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.859 ' CB ' HD23 ' A' ' 56' ' ' LEU . 1.3 m -113.82 133.24 55.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.973 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.947 ' O ' HD21 ' A' ' 56' ' ' LEU . 2.3 m -74.82 121.3 21.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.693 ' CE2' HG13 ' A' ' 95' ' ' VAL . 3.7 m-30 -104.03 64.68 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.688 HG23 HG22 ' A' ' 72' ' ' THR . 81.5 p -85.8 -68.92 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.442 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.17 118.85 23.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.217 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.4 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -75.05 101.19 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -162.6 -138.25 2.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.4 m -140.76 133.14 28.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 110.365 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.979 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 96.8 m-85 -124.79 104.53 8.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 111.03 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.43 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 5.3 m -77.86 101.02 6.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.556 ' CE1' HG23 ' A' ' 95' ' ' VAL . 29.3 p90 -111.22 138.77 47.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.65 ' HB3' HG13 ' A' ' 92' ' ' VAL . 0.7 OUTLIER -143.95 -179.79 6.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.412 1.07 . . . . 0.0 111.016 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.0 p -87.32 110.31 20.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 108.309 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.519 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 5.0 tt0 -43.58 -50.75 17.0 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.535 ' O ' ' CG ' ' A' ' 86' ' ' HIS . 18.1 Cg_endo -75.09 56.87 4.44 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.535 ' CG ' ' O ' ' A' ' 85' ' ' PRO . 1.2 m170 167.78 42.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.584 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -76.71 60.43 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 139.63 61.4 0.04 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -135.63 -47.01 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 0.762 . . . . 0.0 109.341 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 133.94 43.38 0.13 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.673 ' CB ' HD12 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -145.33 99.07 3.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 0.75 . . . . 0.0 110.979 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.65 HG13 ' HB3' ' A' ' 82' ' ' TYR . 31.6 t -146.21 161.01 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.23 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -125.8 169.76 17.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.2 109.83 7.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 0.771 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.693 HG13 ' CE2' ' A' ' 73' ' ' PHE . 8.9 t -86.0 148.81 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.711 HG12 HG23 ' A' ' 22' ' ' THR . 3.2 t -144.68 106.93 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.302 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.527 HG22 ' CD2' ' A' ' 73' ' ' PHE . 48.2 t -94.85 146.65 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.1 t0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -93.38 160.34 14.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 1.052 ' HB2' HG21 ' A' ' 23' ' ' ILE . . . -104.06 142.88 33.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.3 m -120.27 131.84 55.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.44 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.599 HG11 ' OH ' ' A' ' 81' ' ' TYR . 91.8 t -143.79 119.39 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.44 149.05 23.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.547 ' O ' ' HE2' ' A' ' 91' ' ' MET . 3.5 mtm -76.21 -49.87 16.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -110.67 -130.74 5.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.3 p -141.65 149.1 40.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.592 0.819 . . . . 0.0 110.028 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -74.88 64.83 1.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.31 -64.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 110.068 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.87 49.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.99 123.56 12.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 109.337 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -80.15 102.32 9.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.259 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.8 m -142.78 132.15 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -82.44 102.02 11.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 111.056 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.507 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -145.08 136.45 12.64 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 110.273 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.589 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -75.02 132.78 28.72 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.971 -2.512 . . . . 0.0 111.052 0.029 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.45 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 63.2 p -59.86 -36.12 76.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -119.81 127.61 52.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.589 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.4 m -139.21 145.51 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 m -135.64 115.99 13.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 110.474 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 1.052 HG21 ' HB2' ' A' ' 3' ' ' ALA . 4.2 pt -119.5 -179.81 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -75.99 174.74 9.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.504 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -94.4 126.66 39.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.21 -18.94 30.25 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.509 1.13 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.49 ' HB3' HD12 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -79.96 179.0 7.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.407 0.71 . . . . 0.0 110.247 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 71' ' ' SER . 1.2 pm0 -126.26 169.47 12.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.321 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.011 HG22 ' HB3' ' A' ' 3' ' ' ALA . 13.2 t -123.35 140.89 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -109.29 149.38 29.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.366 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.535 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 2.6 m-90 -123.85 151.67 43.18 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.2 t -141.59 125.36 16.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -81.89 166.17 20.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -145.42 -80.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -138.2 177.41 7.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.231 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.573 HD22 ' N ' ' A' ' 36' ' ' LEU . 1.2 mm? 66.14 54.85 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.535 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -90.62 162.57 33.37 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.007 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.571 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.5 Cg_endo -75.02 163.03 91.66 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.05 -0.029 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -140.22 108.37 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.103 . . . . 0.0 109.669 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.62 -179.47 3.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.466 1.104 . . . . 0.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 58' ' ' HIS . 1.3 mp -130.93 105.82 11.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.425 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -112.77 114.81 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 109.31 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.652 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -95.84 99.12 10.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.891 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -74.66 113.27 11.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.214 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.0 96.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -126.95 78.79 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.63 -24.85 11.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.48 1.113 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.891 HG11 ' CE2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -104.09 -179.59 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.522 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -74.91 171.1 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.44 -69.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.651 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 1.5 m-20 -44.99 -42.35 8.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.518 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 2.8 m -58.73 -48.91 79.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 110.38 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -72.85 -14.81 61.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -66.16 -46.32 77.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.96 -37.17 70.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.416 1.073 . . . . 0.0 109.308 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.459 HD22 ' CE2' ' A' ' 79' ' ' TYR . 6.1 mp -74.73 -22.69 58.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -74.38 145.8 43.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.034 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' ILE . 6.0 m-70 -131.6 99.96 4.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.547 1.154 . . . . 0.0 109.576 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -105.75 50.87 0.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 109.356 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 61' ' ' LEU . . . -133.97 78.61 0.35 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.941 HD13 ' CE1' ' A' ' 63' ' ' PHE . 1.1 pp -40.31 159.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 0.742 . . . . 0.0 109.253 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -123.83 131.9 53.67 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.125 . . . . 0.0 109.232 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.941 ' CE1' HD13 ' A' ' 61' ' ' LEU . 8.2 m-85 -126.38 32.11 5.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 110.961 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.78 134.97 27.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.26 73.36 3.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.22 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.45 44.02 0.02 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.509 1.131 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -121.2 132.39 54.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.4 m -138.03 122.12 17.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 0.0 109.977 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -93.48 167.1 11.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.1 m -132.61 154.7 49.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 110.397 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 22.4 p -145.13 131.49 19.63 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 1.146 . . . . 0.0 110.023 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.443 ' O ' HD11 ' A' ' 56' ' ' LEU . 6.3 m -84.79 106.69 16.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 110.359 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.671 ' CE2' HG21 ' A' ' 29' ' ' VAL . 4.2 m-30 -91.91 60.0 3.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -78.97 -64.72 1.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.381 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.91 119.08 55.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.429 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.4 Cg_endo -75.01 107.26 2.44 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.451 1.764 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.7 -152.96 6.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.6 m -132.2 95.8 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 110.411 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.891 ' CE2' HG11 ' A' ' 48' ' ' VAL . 96.8 m-85 -93.93 138.87 31.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.1 m -121.27 111.02 16.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.099 . . . . 0.0 110.383 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.599 ' OH ' HG11 ' A' ' 5' ' ' VAL . 38.3 p90 -109.78 139.91 44.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.891 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -141.14 -179.29 6.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.411 1.069 . . . . 0.0 111.072 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 87' ' ' ARG . 0.5 OUTLIER -85.88 125.91 33.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 108.262 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.541 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -62.47 -48.77 86.03 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -74.99 -18.66 18.56 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.501 1.79 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.422 ' CD2' ' C ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -127.74 45.21 2.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.627 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.9 OUTLIER -77.99 -29.76 49.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -117.83 47.03 1.07 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.411 1.069 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.68 -50.5 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 148.01 45.44 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.547 ' HE2' ' O ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -136.51 98.44 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 0.735 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.537 HG22 ' N ' ' A' ' 93' ' ' GLY . 3.0 p -146.66 167.99 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.537 ' N ' HG22 ' A' ' 92' ' ' VAL . . . -152.44 149.9 21.63 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.582 1.177 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.98 150.4 29.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.652 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 12.9 t -134.01 145.96 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.6 t -142.76 104.84 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.435 1.084 . . . . 0.0 109.336 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.612 HG22 ' CD2' ' A' ' 73' ' ' PHE . 63.8 t -84.88 144.46 9.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.379 1.049 . . . . 0.0 109.268 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.504 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -75.74 175.96 8.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.65 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . -78.06 144.11 36.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.4 m -136.08 123.81 22.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 110.384 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.689 HG22 ' HD2' ' A' ' 18' ' ' PRO . 63.9 t -107.88 133.67 52.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.15 115.22 27.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.91 99.59 6.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.17 102.81 2.6 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 m -43.5 148.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 110.032 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -74.39 60.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.05 -70.79 0.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.66 42.0 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.581 1.175 . . . . 0.0 111.005 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.17 121.45 10.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 0.777 . . . . 0.0 109.236 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.619 HD12 ' HG3' ' A' ' 91' ' ' MET . 1.5 pp -77.38 99.59 5.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.6 m -141.3 135.0 31.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.607 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 13.7 m-85 -78.0 108.43 11.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.495 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -136.84 134.88 19.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.824 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.01 133.34 30.98 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.018 -0.053 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.433 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 60.3 p -49.13 -36.12 18.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 m -129.68 114.07 15.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.384 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.824 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -111.75 129.45 67.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.4 m -125.38 103.03 7.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.122 . . . . 0.0 110.403 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.971 HD11 ' CD2' ' A' ' 73' ' ' PHE . 2.3 pt -107.87 -179.87 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -80.69 177.65 8.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.3 93.62 8.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.31 -10.65 3.82 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -75.22 178.65 5.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 0.744 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.95 172.1 8.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.6 HG12 ' CZ3' ' A' ' 31' ' ' TRP . 30.6 t -141.72 121.75 11.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -107.68 144.44 34.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.721 ' CD1' HD13 ' A' ' 41' ' ' ILE . 10.6 m-90 -111.7 148.71 32.86 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.4 t -135.76 124.04 37.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -78.17 143.79 36.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -126.3 -86.68 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.405 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -141.78 -179.34 6.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.591 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 3.0 mm? 67.86 44.85 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.172 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.599 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -85.29 164.8 39.38 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.599 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.98 160.92 95.84 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.99 -0.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 3.8 m-70 -136.84 100.03 4.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.567 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 60' ' ' GLY . 3.4 m-20 -95.3 170.07 9.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.408 1.068 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.721 HD13 ' CD1' ' A' ' 31' ' ' TRP . 13.2 mt -138.67 99.82 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.574 1.171 . . . . 0.0 109.227 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -114.18 117.31 55.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.588 1.18 . . . . 0.0 109.344 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.59 ' CD1' ' HB3' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -89.72 102.83 15.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.879 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -80.88 120.21 24.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.95 95.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' ALA . 4.4 t70 -122.68 72.83 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.6 -29.26 7.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.113 . . . . 0.0 111.064 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.666 HG11 ' CE1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -99.83 -179.72 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.537 0.786 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.517 ' O ' HG13 ' A' ' 48' ' ' VAL . 6.6 m-20 -75.0 167.59 21.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -75.79 -67.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 82.8 m-20 -45.45 -43.74 11.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.592 HG22 ' HE1' ' A' ' 79' ' ' TYR . 4.2 m -58.27 -38.71 77.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -86.08 -14.52 44.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -69.4 -36.71 77.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.7 -40.22 20.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.742 HD11 ' O ' ' A' ' 72' ' ' THR . 1.5 mp -68.74 -26.72 65.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 18.0 m -75.54 155.85 35.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 72.0 m-70 -131.92 100.7 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.645 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -98.84 44.75 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.415 ' O ' ' ND2' ' A' ' 40' ' ' ASN . . . -100.23 -148.71 22.83 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.64 159.27 37.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 0.796 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.601 ' O ' ' CD1' ' A' ' 63' ' ' PHE . . . -135.78 151.77 50.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.396 1.06 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 62' ' ' ALA . 0.3 OUTLIER 162.05 -50.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 111.048 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.62 105.5 6.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.628 1.205 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.67 135.27 56.71 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 109.244 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 120.53 -21.56 8.55 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.576 1.172 . . . . 0.0 111.058 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -77.93 131.92 37.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 0.807 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 12.5 p -136.24 134.14 37.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.122 . . . . 0.0 109.987 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.564 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 17.4 m-85 -95.36 172.64 7.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.1 m -133.21 152.71 51.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.436 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.51 ' OG ' HD23 ' A' ' 56' ' ' LEU . 25.7 t -139.88 141.87 36.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.943 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.996 HG22 HG23 ' A' ' 74' ' ' THR . 85.1 m -95.28 132.72 39.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 1.088 ' CD2' HG22 ' A' ' 97' ' ' VAL . 5.1 m-85 -123.51 35.16 4.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.996 HG23 HG22 ' A' ' 72' ' ' THR . 70.9 p -60.71 -71.08 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.417 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 38.4 tt0 -72.17 137.78 81.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.431 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.99 114.8 4.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.453 1.765 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.59 ' HA3' HG23 ' A' ' 48' ' ' VAL . . . -150.98 -165.82 13.17 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.477 1.111 . . . . 0.0 110.913 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.2 m -128.72 102.49 6.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.599 0.823 . . . . 0.0 110.38 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.666 ' CE1' HG11 ' A' ' 48' ' ' VAL . 82.3 m-85 -101.89 132.49 47.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.062 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.8 m -122.31 107.86 12.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.403 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.59 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 34.1 p90 -107.91 143.55 36.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.879 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -143.69 174.95 10.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.422 ' O ' ' N ' ' A' ' 87' ' ' ARG . 0.5 OUTLIER -78.67 121.66 24.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 108.258 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.485 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -47.66 -52.09 40.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -74.95 -49.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.462 1.769 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.529 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . 0.1 OUTLIER -92.94 47.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.598 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 83' ' ' CYS . 2.7 ttt180 -59.77 -45.28 92.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -116.26 55.27 0.55 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.529 ' HB3' ' HB3' ' A' ' 86' ' ' HIS . . . -130.59 58.81 1.67 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.468 0.746 . . . . 0.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 41.93 34.16 1.31 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.431 1.082 . . . . 0.0 110.962 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.619 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -133.02 99.42 4.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 111.033 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.4 t -146.07 158.67 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -137.85 119.77 1.9 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.597 1.186 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.45 130.88 44.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.732 HG22 HG22 ' A' ' 21' ' ' VAL . 1.0 OUTLIER -117.01 145.4 22.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.7 t -143.73 119.14 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 1.088 HG22 ' CD2' ' A' ' 73' ' ' PHE . 45.9 t -95.47 143.28 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -84.81 150.81 24.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.228 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.931 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . -75.02 146.79 41.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.246 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.7 m -126.67 121.98 33.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.0 110.38 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.645 HG22 ' HD2' ' A' ' 18' ' ' PRO . 87.6 t -128.2 144.26 38.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.9 132.74 55.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.585 1.178 . . . . 0.0 109.246 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.5 mtm -84.17 50.82 1.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 111.049 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.24 146.04 4.59 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.6 p -76.58 146.16 38.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 0.734 . . . . 0.0 110.023 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -74.49 62.35 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.7 t -157.56 -69.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.8 41.33 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.85 116.0 10.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 109.331 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.444 HD12 ' SD ' ' A' ' 91' ' ' MET . 0.9 OUTLIER -74.67 99.88 3.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.1 m -142.05 131.23 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.451 ' CD2' ' HE2' ' A' ' 91' ' ' MET . 6.4 m-85 -80.89 105.31 12.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.516 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 19.4 tt0 -140.49 134.49 15.29 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.713 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.03 132.9 29.11 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.97 -2.512 . . . . 0.0 110.965 0.075 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.429 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 9.3 p -57.45 -35.42 70.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.172 . . . . 0.0 109.998 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.0 m -124.38 123.78 40.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.713 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.3 m -127.64 140.79 48.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.8 m -128.84 111.07 12.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.464 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.931 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 1.3 pp -119.18 -179.37 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.731 ' O ' HD12 ' A' ' 23' ' ' ILE . 3.2 mtmm -74.81 177.04 6.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.41 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . . . -97.7 89.04 4.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.242 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.34 -15.24 2.08 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.745 ' HB3' HD13 ' A' ' 23' ' ' ILE . 2.8 tp10 -74.89 172.8 11.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 110.343 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -115.89 165.72 12.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.236 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.804 HG22 ' HB3' ' A' ' 3' ' ' ALA . 77.9 t -135.89 135.14 50.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -113.36 145.64 40.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.566 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 16.5 m-90 -121.19 117.48 27.21 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.81 143.33 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.11 155.82 36.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -149.57 -175.3 4.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.224 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -74.71 -177.98 3.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 35' ' ' LYS . 4.3 mm? 68.61 40.07 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.649 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -75.04 167.52 36.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.649 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.0 164.0 89.41 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.97 -0.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -133.96 100.5 4.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.649 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.439 HD21 HD22 ' A' ' 61' ' ' LEU . 5.5 m-20 -100.98 178.11 4.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.369 1.043 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 29.8 mt -139.52 99.91 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -117.26 112.42 38.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -87.51 105.86 17.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.899 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -81.26 104.89 12.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.31 97.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' ALA . 4.6 t0 -125.13 79.51 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.359 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.09 -31.6 6.64 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.721 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -96.33 -179.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 0.782 . . . . 0.0 109.323 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.53 ' H ' HG22 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -74.58 172.39 12.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -84.71 -67.61 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.66 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 30.3 m-20 -45.56 -41.23 9.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.513 HG22 ' HE2' ' A' ' 79' ' ' TYR . 1.6 m -62.16 -51.89 66.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.438 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -71.47 -12.68 61.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.175 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -63.99 -68.15 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.576 1.172 . . . . 0.0 109.389 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -54.49 -38.59 66.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.713 HD11 ' O ' ' A' ' 72' ' ' THR . 0.6 OUTLIER -66.97 -34.2 77.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.162 . . . . 0.0 109.275 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.5 p -80.44 126.23 30.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.563 ' ND1' ' CD1' ' A' ' 69' ' ' PHE . 36.5 m-70 -94.33 179.61 5.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.592 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.87 -44.72 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.363 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -40.72 105.5 0.05 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.413 1.071 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 4.4 mm? -46.7 154.52 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.768 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.73 115.99 10.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 61' ' ' LEU . 10.1 m-85 -127.38 41.21 3.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -133.22 143.03 48.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.78 65.66 5.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 109.344 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 162.71 41.77 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -136.35 105.21 5.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 110.296 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 95.0 p -103.43 156.92 17.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.003 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.563 ' CD1' ' ND1' ' A' ' 58' ' ' HIS . 16.7 m-85 -107.49 177.93 4.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.7 m -141.15 148.08 39.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.162 . . . . 0.0 110.433 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.463 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 6.0 t -144.33 136.71 26.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.942 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.713 ' O ' HD11 ' A' ' 56' ' ' LEU . 59.6 m -91.21 125.0 35.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.452 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.688 ' CB ' HD11 ' A' ' 23' ' ' ILE . 3.6 m-30 -105.89 47.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 111.071 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.46 -50.03 29.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.68 122.27 85.5 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.441 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.99 114.7 4.09 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.499 1.789 . . . . 0.0 110.943 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -162.62 -144.69 4.09 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 110.947 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.441 ' CG2' ' HE2' ' A' ' 94' ' ' LYS . 6.2 m -145.61 93.8 2.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 0.742 . . . . 0.0 110.378 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.721 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 77.0 m-85 -89.61 133.23 34.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 m -115.56 112.64 22.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.412 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.607 ' OH ' HG11 ' A' ' 5' ' ' VAL . 34.5 p90 -112.83 140.55 47.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.899 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -141.17 -179.77 6.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 84' ' ' GLU . 1.5 t -86.26 120.14 27.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 108.313 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.462 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.4 OUTLIER -38.92 -53.74 3.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.265 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.0 Cg_endo -75.07 -46.69 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.423 1.749 . . . . 0.0 110.927 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.53 59.04 1.78 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.625 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.459 ' HG3' ' CG ' ' A' ' 82' ' ' TYR . 20.6 ttp180 -85.46 -62.05 1.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.587 1.18 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.62 55.17 0.83 Allowed Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.588 1.18 . . . . 0.0 110.934 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -125.57 -45.1 1.8 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 0.781 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 163.42 -28.78 0.24 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.528 1.142 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.451 ' HE2' ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -76.94 99.35 5.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 0.732 . . . . 0.0 111.024 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.521 HG12 ' N ' ' A' ' 93' ' ' GLY . 30.2 t -145.86 169.09 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.521 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -142.76 165.46 26.85 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.441 ' HE2' ' CG2' ' A' ' 78' ' ' THR . 0.0 OUTLIER -144.4 112.03 6.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.304 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.669 HG21 ' HZ ' ' A' ' 73' ' ' PHE . 1.6 t -91.14 154.95 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 38.1 t -144.9 108.64 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.658 HG22 ' CD2' ' A' ' 73' ' ' PHE . 41.9 t -97.19 137.87 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.26 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -79.55 127.75 32.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.413 1.07 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.921 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . -76.52 155.12 33.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.1 m -143.87 115.95 8.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.425 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.59 HG11 ' OH ' ' A' ' 81' ' ' TYR . 54.5 t -108.52 150.81 10.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.48 130.79 56.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.49 ' O ' ' CE ' ' A' ' 91' ' ' MET . 8.9 mtm -57.89 -52.72 64.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.15 148.17 18.57 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.106 . . . . 0.0 111.046 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.3 p -71.92 152.4 42.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.38 62.38 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.43 -58.45 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.02 45.0 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.428 1.08 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.97 125.31 13.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 0.745 . . . . 0.0 109.265 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.744 HD23 ' HG ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -76.47 101.12 5.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.1 m -144.27 132.25 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.594 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 34.4 m-85 -81.62 101.79 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.052 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.492 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -135.55 132.08 19.6 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.588 1.18 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.776 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.6 Cg_endo -75.0 131.57 24.66 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.025 -0.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.438 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 11.1 p -52.73 -36.56 57.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.964 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.1 m -126.36 121.84 33.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.416 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.776 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -123.89 140.04 48.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.5 m -122.63 109.84 14.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.386 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.921 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 1.4 pt -118.15 -179.58 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -78.31 178.04 7.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.915 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -99.28 120.9 40.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.96 -19.7 15.24 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.539 1.15 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.21 179.63 5.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.264 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.46 172.2 10.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.684 HG22 ' HB3' ' A' ' 3' ' ' ALA . 2.9 t -134.25 147.91 30.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -121.68 138.85 54.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.569 ' CZ3' ' HB2' ' A' ' 71' ' ' SER . 3.5 m-90 -108.7 151.8 25.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 108.023 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.414 ' C ' ' HE1' ' A' ' 7' ' ' MET . 74.6 t -135.31 139.33 47.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.414 ' N ' ' HE1' ' A' ' 7' ' ' MET . 39.9 t30 -96.62 140.06 31.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.231 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -123.77 -70.72 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -143.6 179.88 6.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.351 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.744 ' HG ' HD23 ' A' ' 14' ' ' LEU . 3.9 mm? 64.34 55.55 1.41 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.504 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -98.19 161.34 25.76 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.504 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.09 163.29 91.01 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.973 0.104 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.96 112.88 10.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.634 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.63 158.46 18.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 58' ' ' HIS . 1.8 mp -122.62 111.68 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -114.23 122.13 67.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.593 ' CE2' ' CG ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -82.51 93.13 7.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 80' ' ' THR . . . -75.29 107.01 7.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.252 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.39 98.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -118.51 60.91 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.94 -13.45 8.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.418 1.074 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.05 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -103.47 -179.71 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.267 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.525 ' H ' HG22 ' A' ' 48' ' ' VAL . 2.5 m-20 -76.16 165.34 25.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 51' ' ' ASP . . . -77.47 -69.35 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.875 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 10.1 m-20 -40.09 -48.13 2.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.574 HG21 ' OH ' ' A' ' 79' ' ' TYR . 98.8 m -49.0 -69.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.356 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.576 ' HB1' ' HB3' ' A' ' 43' ' ' PHE . . . -52.06 -21.47 3.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.875 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -66.34 -29.92 70.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.18 -28.91 20.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.002 HD21 ' O ' ' A' ' 72' ' ' THR . 2.6 mp -92.88 0.79 57.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.5 m -89.38 143.4 26.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.075 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 41' ' ' ILE . 41.8 m-70 -132.65 99.06 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 109.612 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -97.05 29.81 2.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.69 ' C ' HD12 ' A' ' 61' ' ' LEU . . . -86.66 -148.72 12.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.69 HD12 ' C ' ' A' ' 60' ' ' GLY . 5.7 mp -152.57 154.01 34.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 0.734 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -137.25 131.78 32.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.478 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 2.8 m-85 -129.17 -42.18 1.38 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.399 1.062 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.68 153.59 19.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.04 42.65 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.349 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -130.15 -40.44 0.26 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.458 1.098 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -74.36 126.63 31.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.751 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 3.6 m -134.1 142.19 47.43 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.14 . . . . 0.0 110.036 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -96.46 173.58 7.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 3.3 m -140.17 153.98 46.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.349 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.97 ' OG ' HD23 ' A' ' 56' ' ' LEU . 5.3 t -133.36 154.08 51.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.013 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . 1.002 ' O ' HD21 ' A' ' 56' ' ' LEU . 53.2 m -106.33 102.61 12.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.406 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.604 ' CB ' HD11 ' A' ' 23' ' ' ILE . 4.7 m-30 -94.27 69.04 3.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.966 HG23 HG22 ' A' ' 72' ' ' THR . 40.7 p -88.44 -67.87 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.4 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.33 123.13 77.3 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 101.2 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.456 1.766 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.8 -138.53 2.62 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.2 m -143.27 129.89 20.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 110.401 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 1.05 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 96.7 m-85 -126.12 98.05 5.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.584 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 87.3 m -77.82 100.94 6.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.434 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.59 ' OH ' HG11 ' A' ' 5' ' ' VAL . 25.7 p90 -109.03 129.23 55.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.536 ' CZ ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -128.94 -179.87 5.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 1.021 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 1.7 m -77.46 126.13 30.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 108.312 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.502 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -52.75 -51.93 69.25 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -74.98 -50.91 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.579 1.831 . . . . 0.0 111.01 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -85.84 48.82 1.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.636 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.92 5.05 38.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 110.258 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -153.62 51.49 0.48 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.568 1.168 . . . . 0.0 111.006 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.18 -47.03 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.753 . . . . 0.0 109.231 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 146.4 45.11 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.123 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' MET . . . . . 1.021 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER -138.02 99.02 3.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.784 . . . . 0.0 110.989 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.512 HG22 ' N ' ' A' ' 93' ' ' GLY . 2.4 p -146.07 166.17 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.512 ' N ' HG22 ' A' ' 92' ' ' VAL . . . -139.8 154.05 23.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.14 104.93 8.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 0.776 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.53 ' CG1' ' CE2' ' A' ' 73' ' ' PHE . 55.4 t -85.0 145.11 8.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.3 t -139.35 101.57 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.425 1.078 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.421 HG22 ' CD2' ' A' ' 73' ' ' PHE . 91.8 t -93.87 141.47 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.247 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.915 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 30.2 m-20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -144.52 179.57 7.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 1.047 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -77.31 144.3 38.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 90.6 m -112.21 133.74 54.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 110.409 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.409 HG22 ' HD2' ' A' ' 18' ' ' PRO . 10.2 t -144.68 99.65 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.224 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -83.33 146.65 28.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -72.64 -165.48 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 111.042 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.457 ' HA3' ' CD1' ' A' ' 36' ' ' LEU . . . -34.72 131.61 0.53 Allowed Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.1 p -47.93 144.07 3.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.421 0.718 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -76.95 57.27 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.45 -71.62 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.003 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.29 38.34 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.562 1.164 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.99 114.77 7.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 0.748 . . . . 0.0 109.347 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.633 ' CD2' HD22 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -83.59 99.17 10.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.2 m -145.35 141.97 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.363 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.565 ' CE2' ' HG2' ' A' ' 91' ' ' MET . 72.1 m-85 -88.77 126.94 35.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 111.059 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.49 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 26.3 tt0 -141.06 131.27 13.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.885 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.6 Cg_endo -74.86 132.99 29.35 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.067 -0.153 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.425 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 39.3 t -42.51 -35.91 1.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.946 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.2 m -136.73 128.34 28.72 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.885 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -124.92 143.57 38.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.7 m -122.49 108.03 12.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.416 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.951 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.3 pt -116.99 -179.72 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.58 ' O ' HG13 ' A' ' 97' ' ' VAL . 3.7 mtmt -77.42 177.36 8.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.439 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . . . -100.65 98.57 9.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.65 -22.58 2.68 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.6 179.73 5.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 0.801 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.12 176.24 6.51 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.047 HG22 ' HB3' ' A' ' 3' ' ' ALA . 3.1 t -130.54 157.25 42.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.49 141.73 51.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.493 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 9.3 m-90 -111.96 159.36 18.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 107.973 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.9 t -139.22 111.98 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.578 1.174 . . . . 0.0 109.259 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -77.65 140.22 39.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -126.95 -87.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.3 mmtm -135.56 -179.18 5.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 109.35 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.633 HD22 ' CD2' ' A' ' 14' ' ' LEU . 0.6 OUTLIER 75.29 69.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.558 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -121.61 163.25 31.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.974 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.558 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.99 139.88 64.24 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.962 -2.516 . . . . 0.0 111.019 -0.022 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.563 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 1.6 m-70 -140.12 102.96 4.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.635 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.3 -179.96 4.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.883 HG21 ' NE2' ' A' ' 58' ' ' HIS . 5.0 mt -121.04 115.4 46.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -124.36 125.4 70.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.613 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 0.2 OUTLIER -96.54 101.51 13.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.951 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.954 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -78.9 107.36 11.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.86 96.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.4 m-20 -120.55 75.58 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.36 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.43 -27.09 9.67 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.9 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 1.0 OUTLIER -100.01 175.67 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 109.347 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.486 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -76.42 147.52 37.91 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.465 1.103 . . . . 0.0 109.229 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -64.0 -51.76 62.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.354 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.741 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -45.29 -55.21 6.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.569 HG21 ' OH ' ' A' ' 79' ' ' TYR . 17.8 m -58.99 -53.97 52.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.435 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.39 -21.05 33.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -67.49 -70.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -58.02 -29.99 65.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.37 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.73 HD13 ' OG ' ' A' ' 71' ' ' SER . 0.7 OUTLIER -68.59 -31.65 70.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.355 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.4 p -74.54 147.84 41.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.06 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.883 ' NE2' HG21 ' A' ' 41' ' ' ILE . 5.6 p80 -145.15 99.89 3.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.642 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 60' ' ' GLY . 11.0 mttt -70.06 -82.29 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.367 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.425 ' HA3' ' CZ ' ' A' ' 69' ' ' PHE . . . 47.94 98.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.522 HD12 ' CZ ' ' A' ' 63' ' ' PHE . 4.2 mm? -47.18 142.54 3.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 0.806 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -109.26 106.67 16.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.522 ' CZ ' HD12 ' A' ' 61' ' ' LEU . 21.7 m-85 -131.52 -44.94 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 111.055 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.79 146.87 24.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.075 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.44 128.3 34.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.19 15.21 10.0 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.58 103.72 15.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 0.791 . . . . 0.0 110.251 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 67.2 m -106.22 135.26 48.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.425 ' CZ ' ' HA3' ' A' ' 60' ' ' GLY . 17.9 m-85 -109.44 175.89 5.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 110.97 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 2.5 m -144.88 157.57 44.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.73 ' OG ' HD13 ' A' ' 56' ' ' LEU . 34.4 t -144.99 155.0 43.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.975 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.705 ' O ' HD11 ' A' ' 56' ' ' LEU . 2.5 m -105.91 109.95 22.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.914 ' CE2' HG21 ' A' ' 29' ' ' VAL . 6.8 m-30 -95.95 46.55 1.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.4 m -68.48 -64.67 0.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -61.2 123.21 74.83 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 125.45 9.32 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.527 1.804 . . . . 0.0 111.072 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 179.14 -142.73 5.44 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.2 m -144.02 108.64 4.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 0.797 . . . . 0.0 110.378 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.9 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 85.8 m-85 -105.61 135.2 47.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.1 m -110.66 115.58 29.84 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.565 1.166 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.609 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 33.9 p90 -114.94 137.49 51.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.954 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -145.51 -179.75 6.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.441 ' CB ' ' ND1' ' A' ' 39' ' ' HIS . 1.0 OUTLIER -95.69 116.38 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 108.366 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.477 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -37.08 -56.46 1.48 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.563 ' O ' ' CG ' ' A' ' 86' ' ' HIS . 18.1 Cg_endo -75.04 52.68 3.14 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.605 1.845 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.563 ' CG ' ' O ' ' A' ' 85' ' ' PRO . 1.4 m80 165.63 42.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 0.0 109.585 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.478 ' O ' ' CG ' ' A' ' 87' ' ' ARG . 19.0 ptt180 -90.69 121.1 32.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.43 28.44 55.52 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -106.3 -36.55 6.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.392 0.701 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 151.04 -36.61 0.88 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.565 ' HG2' ' CE2' ' A' ' 16' ' ' PHE . 0.8 OUTLIER -77.6 98.66 5.48 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.524 0.779 . . . . 0.0 110.991 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.547 HG12 ' N ' ' A' ' 93' ' ' GLY . 52.6 t -146.79 169.52 4.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.547 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -127.32 167.51 19.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.1 117.06 9.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 0.722 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.613 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 37.9 t -96.72 146.38 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.2 t -141.2 104.18 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.739 HG11 ' O ' ' A' ' 73' ' ' PHE . 15.8 t -107.63 140.59 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.1 t0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -143.56 175.48 9.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 1.016 ' HB2' HG21 ' A' ' 23' ' ' ILE . . . -78.82 125.71 29.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.468 1.105 . . . . 0.0 109.359 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.5 m -90.93 141.15 29.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.394 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.3 t -145.35 128.7 11.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.599 1.187 . . . . 0.0 109.225 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.93 143.17 49.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.413 1.07 . . . . 0.0 109.239 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.7 mtm -94.58 -90.5 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.441 ' O ' ' ND2' ' A' ' 34' ' ' ASN . . . -59.15 98.19 0.1 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 m -47.64 160.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 0.784 . . . . 0.0 109.994 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.95 66.38 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.11 -61.22 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.2 44.58 0.04 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.55 1.156 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.15 130.22 18.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.388 0.699 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.845 ' HB3' HD22 ' A' ' 36' ' ' LEU . 1.9 pt? -75.23 111.28 10.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.3 m -143.52 -179.95 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 43.6 m-85 -128.29 111.53 13.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.601 1.188 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.475 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.9 tt0 -145.01 130.14 9.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.773 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.5 Cg_endo -74.97 132.2 26.77 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.955 -2.519 . . . . 0.0 111.067 -0.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.421 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 95.5 p -57.34 -27.33 62.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 110.004 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -134.38 120.54 19.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.773 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -121.12 142.01 39.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.522 1.138 . . . . 0.0 109.336 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.463 HG23 HG12 ' A' ' 96' ' ' VAL . 91.3 m -132.88 100.21 4.84 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.498 1.124 . . . . 0.0 110.467 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 1.016 HG21 ' HB2' ' A' ' 3' ' ' ALA . 5.0 pt -112.82 -179.76 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -75.32 174.24 9.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.747 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -91.28 126.33 36.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.569 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 111.9 -22.87 18.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.819 ' HB3' HD12 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -74.9 -179.92 4.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 0.763 . . . . 0.0 110.266 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.404 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 7.3 pm0 -128.11 178.87 5.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.27 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.015 HG22 ' HB3' ' A' ' 3' ' ' ALA . 3.5 t -138.89 138.64 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.399 1.062 . . . . 0.0 109.366 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.92 131.94 56.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.463 ' O ' ' CB ' ' A' ' 68' ' ' SER . 12.1 m-90 -93.79 163.32 13.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 108.007 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.8 t -142.08 101.1 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 109.285 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -80.13 150.58 30.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.138 . . . . 0.0 109.355 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 8' ' ' GLY . 15.8 m-20 -124.87 -80.83 0.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.581 1.176 . . . . 0.0 109.282 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -129.69 -179.51 5.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.845 HD22 ' HB3' ' A' ' 14' ' ' LEU . 2.7 mp 71.01 50.96 0.3 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.558 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -95.46 163.39 21.64 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.17 . . . . 0.0 109.983 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 63' ' ' PHE . 18.2 Cg_endo -75.03 157.04 99.83 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.928 -2.53 . . . . 0.0 111.03 0.002 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.607 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 1.4 m-70 -124.2 110.54 14.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.597 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.483 ' OD1' HD13 ' A' ' 61' ' ' LEU . 6.1 m-20 -100.55 171.43 7.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 98.0 mt -143.55 99.06 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -108.82 122.71 63.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.684 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -94.75 102.88 14.78 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 111.043 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.845 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -78.54 130.69 36.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.361 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.84 100.49 0.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 109.336 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -132.77 55.57 1.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 134.54 -11.81 4.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.808 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -121.46 -179.74 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 0.0 109.252 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.544 ' H ' HG22 ' A' ' 48' ' ' VAL . 5.3 m-20 -75.79 168.57 19.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' ALA . . . -81.3 -64.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -45.43 -43.59 11.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.508 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -66.17 -34.62 78.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -79.52 -19.8 48.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -72.84 -45.28 59.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -43.0 87.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.91 HD11 ' O ' ' A' ' 72' ' ' THR . 4.4 mp -73.23 -24.92 60.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 3.6 m -75.87 151.55 37.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.064 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.496 ' CE1' ' O ' ' A' ' 70' ' ' THR . 55.8 m-70 -126.86 99.83 5.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.587 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -97.63 40.46 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -119.82 152.3 17.13 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 111.031 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.483 HD13 ' OD1' ' A' ' 40' ' ' ASN . 3.8 mm? -88.52 158.05 18.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 0.713 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.84 107.92 6.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.563 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 6.2 m-85 -119.14 46.19 1.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.12 122.66 15.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.588 1.18 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.2 113.77 3.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.4 26.43 5.67 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.566 1.166 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -76.4 141.85 41.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 0.755 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 4.1 p -145.11 122.6 11.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.944 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -96.69 176.11 6.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.068 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.496 ' O ' ' CE1' ' A' ' 58' ' ' HIS . 1.5 m -134.49 142.75 47.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.382 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.3 t -134.43 135.77 42.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.91 ' O ' HD11 ' A' ' 56' ' ' LEU . 5.5 m -85.65 115.13 23.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.412 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.558 ' CZ ' HG11 ' A' ' 95' ' ' VAL . 4.2 m-30 -102.22 61.96 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.954 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.569 HG22 ' HA2' ' A' ' 26' ' ' GLY . 2.2 p -87.17 -70.07 0.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.48 120.81 43.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.177 . . . . 0.0 110.326 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 100.02 1.32 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.541 1.811 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.77 -147.2 4.49 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.586 1.179 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.7 m -139.99 105.04 4.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 110.459 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.808 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 94.8 m-85 -98.63 145.0 27.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.9 p -125.53 111.35 14.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.432 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.573 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 34.7 p90 -112.01 139.44 47.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.845 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -138.58 179.49 6.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.9 130.23 34.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 108.321 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.516 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -56.97 -50.72 86.56 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 110.388 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -75.0 -52.32 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.49 1.784 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.79 44.75 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.609 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -64.38 -58.29 6.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -104.2 63.66 0.36 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -131.94 -46.34 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.283 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.38 45.68 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.575 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -143.08 98.99 3.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 0.805 . . . . 0.0 110.995 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.642 HG13 ' HB3' ' A' ' 82' ' ' TYR . 2.8 t -146.08 150.84 14.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -128.03 157.33 21.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.43 157.98 26.18 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.51 0.771 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.684 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 75.3 t -140.72 147.04 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.463 HG12 HG23 ' A' ' 22' ' ' THR . 3.9 t -145.21 103.8 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.495 HG22 ' CD2' ' A' ' 73' ' ' PHE . 62.8 t -95.28 140.16 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.747 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -144.35 179.37 7.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.405 1.066 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.962 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -77.71 119.46 21.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.1 m -76.09 129.34 36.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.16 . . . . 0.0 110.417 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.427 ' CG2' HG11 ' A' ' 21' ' ' VAL . 61.5 t -144.67 100.0 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.25 115.42 18.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.601 ' CE ' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -64.91 -28.65 69.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.163 . . . . 0.0 110.982 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.418 ' N ' ' HG2' ' A' ' 7' ' ' MET . . . -131.5 133.62 7.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.7 t -44.01 167.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 0.74 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.54 68.35 1.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.5 t 67.15 99.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.005 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.87 -67.53 0.16 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.09 167.33 22.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 0.774 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.473 HD13 ' CE1' ' A' ' 86' ' ' HIS . 0.5 OUTLIER -97.93 101.31 12.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.1 m -144.48 140.35 24.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.08 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.596 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 59.2 m-85 -79.79 118.84 21.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 17.0 tt0 -145.2 129.13 8.69 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 110.282 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.776 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.05 132.4 27.45 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.006 -2.497 . . . . 0.0 110.984 0.085 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.417 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 92.7 p -53.87 -33.26 55.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.085 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 m -126.35 117.51 23.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 110.362 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.776 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -121.64 140.79 44.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 m -133.34 100.75 4.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.376 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.902 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.5 pt -108.48 -178.75 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.05 176.58 6.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.74 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -96.7 118.45 33.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.649 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 120.19 -26.8 6.93 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -75.92 178.77 5.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 0.723 . . . . 0.0 110.293 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.44 172.85 9.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.962 HG22 ' HB3' ' A' ' 3' ' ' ALA . 2.5 t -129.87 143.83 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.92 158.35 17.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.498 ' O ' ' CB ' ' A' ' 68' ' ' SER . 7.5 m-90 -127.76 105.92 8.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.013 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 82.9 t -81.06 111.76 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -79.0 110.47 14.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -95.91 -84.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.783 ' C ' HD22 ' A' ' 36' ' ' LEU . 14.9 mmtt -135.44 178.51 6.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.783 HD22 ' C ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER 75.02 29.95 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.53 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -85.27 162.7 47.97 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.582 1.176 . . . . 0.0 110.017 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.581 ' HG3' ' CZ ' ' A' ' 63' ' ' PHE . 18.1 Cg_endo -75.04 156.97 99.85 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.941 -2.525 . . . . 0.0 111.003 -0.011 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 2.2 m-70 -129.23 112.82 14.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.602 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -98.46 161.83 13.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.757 HD13 ' CE1' ' A' ' 58' ' ' HIS . 3.6 mp -126.22 101.37 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.492 HG13 ' HG3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -106.24 108.53 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.701 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -86.3 102.1 13.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.83 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -79.96 103.66 10.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.411 1.07 . . . . 0.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.485 ' HB2' ' HA ' ' A' ' 50' ' ' ALA . . . -39.94 97.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -123.89 75.81 1.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.83 -32.04 6.02 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.963 HG11 ' CD2' ' A' ' 79' ' ' TYR . 2.2 p -96.09 -179.83 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.639 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -75.96 143.97 41.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.238 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.485 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . . . -63.03 -55.68 23.53 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.812 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -44.45 -48.77 9.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.713 HG21 ' OH ' ' A' ' 79' ' ' TYR . 24.1 m -57.82 -59.06 5.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.74 -15.89 34.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.402 1.064 . . . . 0.0 109.347 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.812 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -64.26 -59.54 4.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -37.45 66.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.672 HD13 HG22 ' A' ' 52' ' ' THR . 0.1 OUTLIER -57.03 -24.68 55.55 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.13 . . . . 0.0 109.25 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 80.4 p -87.5 131.89 34.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.757 ' CE1' HD13 ' A' ' 41' ' ' ILE . 3.2 p80 -130.71 101.69 5.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 109.622 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.492 ' HG3' HG13 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -70.96 -74.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 45.97 -154.7 0.65 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.461 ' HG ' ' CB ' ' A' ' 38' ' ' PRO . 3.4 tp -179.0 93.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.562 0.801 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.51 142.86 27.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.581 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 10.7 m-85 -131.1 21.98 4.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -135.72 139.08 43.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.26 77.11 10.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.238 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -171.2 -39.19 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 111.037 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -74.64 144.53 43.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 0.723 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 12.8 p -138.84 133.24 31.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.967 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.517 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 12.1 m-85 -76.13 174.42 10.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 12.1 m -145.35 155.43 43.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.0 t -144.93 146.48 32.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.939 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.644 ' O ' HD11 ' A' ' 56' ' ' LEU . 87.0 m -88.14 112.66 22.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 0.0 110.369 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.685 ' CD2' HD11 ' A' ' 23' ' ' ILE . 4.6 m-30 -103.0 46.81 0.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 111.056 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.649 HG22 ' HA2' ' A' ' 26' ' ' GLY . 2.0 p -75.5 -70.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.12 119.8 12.91 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 100.64 1.38 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.415 1.745 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.71 -142.31 3.42 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.111 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 78' ' ' THR . 15.0 t -145.18 110.95 5.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 110.416 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.963 ' CD2' HG11 ' A' ' 48' ' ' VAL . 87.0 m-85 -107.46 138.56 43.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.6 m -115.11 115.41 26.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.414 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.585 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 28.0 p90 -118.39 133.28 56.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.83 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -140.3 -179.46 6.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.963 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.608 ' SG ' 'CU ' ' A' ' 132' ' ' ' CU' . 0.1 OUTLIER -79.45 138.93 37.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 108.341 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.523 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -65.05 -50.45 61.64 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -74.97 -49.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.473 ' CE1' HD13 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -87.83 45.04 1.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.595 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.69 -1.31 55.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -145.11 50.84 0.63 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -135.95 -46.9 0.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 146.22 47.82 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.466 1.104 . . . . 0.0 111.026 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.596 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -138.28 99.62 3.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 0.793 . . . . 0.0 111.081 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.543 HG12 ' N ' ' A' ' 93' ' ' GLY . 42.4 t -145.71 169.36 6.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.543 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -146.84 138.21 7.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -110.67 134.14 52.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.375 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.701 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 70.5 t -114.12 147.23 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.289 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.3 t -144.92 100.09 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.595 1.184 . . . . 0.0 109.247 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.671 HG11 ' O ' ' A' ' 73' ' ' PHE . 42.0 t -92.0 138.2 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.74 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . 0.608 'CU ' ' SG ' ' A' ' 83' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -142.8 179.21 7.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 1.09 ' HB2' HG21 ' A' ' 23' ' ' ILE . . . -85.35 120.82 27.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.3 m -91.63 134.86 34.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.776 HG11 ' OH ' ' A' ' 81' ' ' TYR . 53.8 t -144.5 109.02 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.43 141.01 35.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.239 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -89.5 29.0 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.4 -141.03 3.22 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.462 1.101 . . . . 0.0 111.062 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.423 ' OG ' ' CG2' ' A' ' 15' ' ' VAL . 53.5 m -155.34 142.08 18.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 0.776 . . . . 0.0 110.002 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -74.51 58.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 t -153.62 -70.73 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.08 . . . . 0.0 109.966 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.59 42.46 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.559 1.162 . . . . 0.0 110.96 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.1 128.86 17.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 0.744 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.486 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -80.86 100.13 8.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.416 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.423 ' CG2' ' OG ' ' A' ' 9' ' ' SER . 26.8 m -145.06 138.98 22.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.598 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 40.7 m-85 -82.87 112.3 19.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.467 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 7.0 tt0 -144.11 131.86 10.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.271 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.663 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.95 132.06 26.26 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.003 -0.047 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.435 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 35.6 p -55.63 -36.12 66.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 m -122.85 128.12 49.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.364 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.663 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.2 m -134.05 143.57 37.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.6 m -129.01 111.0 12.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.409 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 1.09 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.7 pt -116.16 -179.49 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -74.49 173.33 10.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.802 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -99.31 105.46 17.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.435 1.084 . . . . 0.0 109.245 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 129.24 -6.19 6.34 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.422 1.076 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.53 -179.7 5.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 0.777 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.468 ' N ' ' CD ' ' A' ' 28' ' ' GLU . 6.4 mp0 -116.99 -179.96 3.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 110.349 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.942 HG22 ' HB3' ' A' ' 3' ' ' ALA . 9.5 t -139.33 150.7 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -117.18 156.35 27.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.698 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 5.8 m-90 -135.58 102.39 5.1 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 82.2 t -87.38 145.77 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -109.61 150.5 28.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -128.09 -79.16 0.58 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.223 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -140.33 175.0 9.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.486 HD13 ' HB3' ' A' ' 14' ' ' LEU . 0.3 OUTLIER 78.53 52.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.53 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -98.93 162.01 22.96 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.008 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.53 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.04 160.97 95.75 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 120.94 -2.525 . . . . 0.0 111.025 -0.012 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.83 122.81 17.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.653 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.455 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -109.92 -179.63 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.342 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.731 HG22 ' CE1' ' A' ' 43' ' ' PHE . 43.2 mt -141.6 103.48 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.613 HG13 ' HG2' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -107.48 133.28 52.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.731 ' CE1' HG22 ' A' ' 41' ' ' ILE . 3.0 m-85 -104.88 106.52 17.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -84.63 111.31 19.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.181 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.12 96.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -122.7 77.28 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.36 -27.55 8.87 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.816 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -96.17 177.64 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.47 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -77.33 128.46 34.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.1 -62.14 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.321 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.802 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -45.58 -62.62 1.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.522 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 2.0 m -42.6 -62.36 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.382 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.694 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -56.71 -26.71 57.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.802 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -62.67 -42.83 99.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -16.26 61.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.881 HD21 ' O ' ' A' ' 72' ' ' THR . 0.3 OUTLIER -105.4 0.4 26.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.544 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -87.71 111.5 21.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 110.06 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.807 ' CE1' ' CD1' ' A' ' 69' ' ' PHE . 5.1 m-70 -87.69 170.54 11.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.598 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.613 ' HG2' HG13 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -179.46 60.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.57 ' C ' HD22 ' A' ' 61' ' ' LEU . . . -106.06 171.94 18.37 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.453 1.096 . . . . 0.0 111.052 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.57 HD22 ' C ' ' A' ' 60' ' ' GLY . 3.6 mm? -121.44 75.05 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.421 0.718 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.5 145.61 36.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.539 ' CZ ' ' O ' ' A' ' 61' ' ' LEU . 4.7 m-85 -135.14 -44.03 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.83 128.69 35.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.3 86.02 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.89 -35.56 0.08 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -75.19 126.29 30.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 0.748 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.7 m -125.3 144.72 50.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.032 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.807 ' CD1' ' CE1' ' A' ' 58' ' ' HIS . 1.6 m-85 -92.33 168.99 10.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 95.1 m -140.57 157.96 44.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.359 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.414 ' OG ' ' CE1' ' A' ' 73' ' ' PHE . 2.0 p -143.96 173.5 11.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 109.954 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.881 ' O ' HD21 ' A' ' 56' ' ' LEU . 3.3 m -116.87 117.6 30.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.416 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.84 ' CE2' HG21 ' A' ' 29' ' ' VAL . 4.9 m-30 -105.72 65.08 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.6 p -87.75 -51.61 5.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.398 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.23 120.25 78.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 106.88 2.36 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.803 . . . . 0.0 111.052 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -169.2 -151.21 7.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.4 m -126.25 137.57 53.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 110.37 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.816 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 88.3 m-85 -129.62 98.65 4.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 54.9 m -80.94 105.98 12.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.444 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.776 ' OH ' HG11 ' A' ' 5' ' ' VAL . 20.4 p90 -117.38 118.81 33.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.582 1.176 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.96 ' HB3' HG13 ' A' ' 92' ' ' VAL . 0.4 OUTLIER -117.55 -179.37 3.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.12 127.47 33.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 108.328 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.499 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -53.81 -51.8 73.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -75.02 -52.75 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -89.02 44.26 1.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.397 1.06 . . . . 0.0 109.619 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -64.67 -58.06 7.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.27 65.83 0.24 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.22 -48.5 0.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 0.732 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 151.13 43.89 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -145.3 99.31 3.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.764 . . . . 0.0 110.966 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.96 HG13 ' HB3' ' A' ' 82' ' ' TYR . 3.4 t -145.76 157.27 12.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.567 ' O ' ' CD1' ' A' ' 81' ' ' TYR . . . -139.79 123.96 2.6 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.552 1.158 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.91 109.48 22.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.604 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 2.2 t -86.97 147.53 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.407 1.067 . . . . 0.0 109.362 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.4 t -140.27 136.66 37.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.558 1.162 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.562 HG22 ' CD2' ' A' ' 73' ' ' PHE . 97.8 t -123.07 139.64 49.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.229 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.802 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.765 ' H1 ' ' HD2' ' A' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -74.83 123.57 25.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.573 1.17 . . . . 0.0 109.361 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.568 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . -123.86 166.46 15.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.4 m -143.31 141.72 31.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.732 HG11 ' OH ' ' A' ' 81' ' ' TYR . 48.3 t -136.06 119.62 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.361 1.038 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -92.98 129.23 38.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 0.0 109.389 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.667 ' CG ' HD11 ' A' ' 41' ' ' ILE . 16.4 mtm -44.53 -73.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.3 -158.87 34.99 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.511 ' HB2' HG22 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -120.13 152.18 38.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 0.727 . . . . 0.0 110.01 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.71 66.17 1.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -154.68 -80.83 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.39 1.056 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.8 39.29 0.03 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.33 152.38 39.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.409 0.711 . . . . 0.0 109.338 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.708 HD12 ' HG3' ' A' ' 91' ' ' MET . 0.8 OUTLIER -88.42 99.69 12.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.511 HG22 ' HB2' ' A' ' 9' ' ' SER . 29.4 m -143.26 135.47 24.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.597 ' CD2' ' HE2' ' A' ' 91' ' ' MET . 39.3 m-85 -90.03 115.13 27.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.501 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 11.0 tt0 -143.76 134.46 12.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.327 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.676 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -74.95 133.9 33.47 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.996 -0.002 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.421 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 89.5 p -55.64 -30.61 61.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.954 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 m -133.24 136.84 45.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.369 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.676 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -139.6 152.15 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.754 HG23 HG12 ' A' ' 96' ' ' VAL . 15.6 m -139.85 114.9 9.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 110.434 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.642 HD11 ' CD2' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -124.49 -178.98 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.765 ' HD2' ' H1 ' ' A' ' 1' ' ' ALA . 29.0 mttp -74.23 173.62 9.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.68 113.58 25.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.18 -22.85 6.62 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.12 179.58 4.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 0.762 . . . . 0.0 110.267 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' A' ' 28' ' ' GLU . 22.1 pm0 -123.75 170.13 10.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.776 HG21 ' CE2' ' A' ' 73' ' ' PHE . 44.4 t -136.53 132.03 48.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -98.75 162.42 13.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.683 ' CD1' HD13 ' A' ' 41' ' ' ILE . 3.5 m-90 -125.97 172.72 9.7 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.4 t -143.59 140.22 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.405 ' ND2' ' HB1' ' A' ' 62' ' ' ALA . 0.3 OUTLIER -77.61 140.85 39.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 9' ' ' SER . 4.4 t-20 -135.02 -179.53 5.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -74.76 -178.84 3.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.652 HD22 ' N ' ' A' ' 36' ' ' LEU . 1.1 mm? 69.13 67.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.535 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -99.09 162.2 22.22 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.989 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.535 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.01 163.21 91.24 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.019 -2.492 . . . . 0.0 111.011 0.011 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.618 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -141.62 99.66 3.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.482 1.114 . . . . 0.0 109.663 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -99.43 174.1 6.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.683 HD13 ' CD1' ' A' ' 31' ' ' TRP . 96.5 mt -144.85 99.15 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 109.251 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.2 p -127.33 115.57 40.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.664 ' CD1' ' HB3' ' A' ' 79' ' ' TYR . 10.3 m-85 -71.74 143.71 49.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.773 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -110.13 106.76 16.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.49 96.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.4 m-20 -125.89 70.95 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.168 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.64 -10.6 27.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.039 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -110.8 -178.69 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.579 0.811 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.519 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -74.58 172.64 11.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.94 -63.51 1.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.64 -27.04 36.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.234 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.545 HG22 ' OH ' ' A' ' 79' ' ' TYR . 75.8 m -73.8 -51.31 16.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.597 1.186 . . . . 0.0 110.449 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.518 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -72.01 -11.5 60.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.1 -56.54 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -65.59 -27.82 68.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.628 HD11 ' O ' ' A' ' 72' ' ' THR . 0.5 OUTLIER -76.52 -25.79 54.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.6 p -86.36 158.55 19.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.062 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 76.4 m-70 -123.19 141.22 52.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.123 . . . . 0.0 109.595 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -122.03 56.18 1.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -124.53 -150.94 7.98 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.558 1.161 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.1 mp -138.77 -177.55 4.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 0.725 . . . . 0.0 109.32 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.405 ' HB1' ' ND2' ' A' ' 33' ' ' ASN . . . -145.08 98.57 3.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -129.28 -52.1 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.63 115.8 15.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.62 98.11 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 152.68 -21.55 0.81 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 111.06 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -74.88 122.79 23.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 0.746 . . . . 0.0 110.343 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.7 m -125.79 159.59 31.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.963 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.552 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 19.1 m-30 -122.13 167.02 13.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.409 1.068 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.425 ' O ' ' NE2' ' A' ' 58' ' ' HIS . 2.4 m -140.28 150.32 43.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.368 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.441 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 2.8 t -139.97 131.64 27.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.977 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.628 ' O ' HD11 ' A' ' 56' ' ' LEU . 7.2 m -76.14 116.63 17.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.776 ' CE2' HG21 ' A' ' 29' ' ' VAL . 4.6 m-30 -98.17 49.43 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.9 m -74.6 -70.12 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.414 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -53.17 118.51 14.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.271 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 100.31 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 0.0 111.04 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -158.81 -143.55 3.69 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.473 1.108 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 46' ' ' ASP . 6.1 t -132.51 140.02 48.16 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.445 0.732 . . . . 0.0 110.376 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 1.039 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 90.9 m-85 -138.67 120.83 15.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.493 ' O ' ' CG2' ' A' ' 80' ' ' THR . 0.7 OUTLIER -108.7 113.14 25.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.432 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.732 ' OH ' HG11 ' A' ' 5' ' ' VAL . 31.2 p90 -108.27 139.79 42.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.773 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -145.15 -179.75 6.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 111.018 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 87' ' ' ARG . 0.6 OUTLIER -81.89 113.09 19.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 108.257 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.533 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -43.27 -49.81 15.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.99 -43.41 0.4 Allowed 'Trans proline' 0 C--N 1.362 1.241 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.449 ' N ' ' CD2' ' A' ' 86' ' ' HIS . 0.2 OUTLIER -99.04 48.29 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.621 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 83' ' ' CYS . 9.6 ptt180 -84.71 1.84 44.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.52 1.137 . . . . 0.0 110.279 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -150.46 64.54 0.39 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.462 1.101 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -145.11 -46.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.238 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 146.63 44.25 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.708 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -145.28 98.96 3.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.77 . . . . 0.0 111.014 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.508 ' CG2' ' N ' ' A' ' 93' ' ' GLY . 0.2 OUTLIER -146.76 164.35 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.534 ' HA3' ' CE1' ' A' ' 81' ' ' TYR . . . -140.96 154.7 24.59 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -120.08 159.08 25.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 0.735 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.411 HG13 ' CE2' ' A' ' 73' ' ' PHE . 7.2 t -141.34 145.77 24.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.423 1.077 . . . . 0.0 109.358 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.754 HG12 HG23 ' A' ' 22' ' ' THR . 4.0 t -139.05 119.33 14.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.601 HG11 ' O ' ' A' ' 73' ' ' PHE . 78.3 t -110.17 129.93 64.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -144.53 133.06 22.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 1.071 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -87.35 137.35 32.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 84.6 m -143.97 104.28 4.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.367 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.563 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 85.9 t -103.9 152.84 6.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 pttm -127.75 117.53 22.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.365 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.57 ' SD ' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -75.3 119.09 18.95 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.26 107.87 0.05 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.2 p -45.01 153.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.749 . . . . 0.0 110.028 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -75.19 58.9 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.249 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 t -145.02 -66.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.0 43.11 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.72 136.48 25.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 0.797 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.669 HD12 ' HG3' ' A' ' 91' ' ' MET . 1.0 OUTLIER -88.25 100.38 12.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 m -144.12 132.33 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -80.42 110.95 16.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.602 1.189 . . . . 0.0 111.054 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.488 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -142.5 130.28 11.37 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.712 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -75.04 132.53 27.87 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.926 -2.531 . . . . 0.0 110.986 -0.001 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.426 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 83.5 p -54.93 -35.15 63.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.7 m -125.11 118.96 27.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.399 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.712 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -121.82 129.75 75.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.8 m -113.81 107.71 16.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.391 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 1.022 HG21 ' HB2' ' A' ' 3' ' ' ALA . 5.2 pt -116.29 -179.44 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -74.93 177.0 6.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.434 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -97.13 88.7 4.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.24 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 142.03 -13.03 2.6 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.554 1.159 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.414 ' HB3' HD12 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -74.57 -179.81 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.248 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.497 ' CG ' ' N ' ' A' ' 29' ' ' VAL . 16.1 tt0 -121.98 159.72 26.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.215 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.071 HG22 ' HB3' ' A' ' 3' ' ' ALA . 64.7 t -125.81 114.18 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -90.13 145.48 25.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.363 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.563 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 2.8 m-90 -123.32 144.96 49.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 108.011 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.5 t -127.5 138.43 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -101.58 129.01 47.59 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -115.2 -83.45 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.412 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -122.51 179.92 4.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.327 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.642 HD22 ' N ' ' A' ' 36' ' ' LEU . 0.5 OUTLIER 59.68 62.06 1.81 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.603 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -106.49 165.14 13.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.03 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.603 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.11 164.3 88.67 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.927 -2.531 . . . . 0.0 110.954 0.048 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.545 ' CD2' ' HB3' ' A' ' 7' ' ' MET . 1.6 m-70 -125.0 122.19 36.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.552 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 58' ' ' HIS . 20.7 t-20 -110.92 169.38 8.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.57 HD11 ' SD ' ' A' ' 7' ' ' MET . 56.0 mt -142.53 98.23 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.469 ' CG1' ' HG2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -110.47 130.54 63.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.253 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.762 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 0.7 OUTLIER -92.75 91.64 7.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 111.013 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.501 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -74.63 103.55 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.48 ' HB2' ' HA ' ' A' ' 50' ' ' ALA . . . -44.19 97.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 44' ' ' ALA . 2.7 m-20 -115.56 68.97 0.72 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.13 -22.34 27.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.943 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 2.5 p -92.46 -179.88 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.645 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -75.15 132.29 41.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.27 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.48 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . . . -59.7 -37.68 79.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.87 -40.18 91.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.69 HG21 ' OH ' ' A' ' 79' ' ' TYR . 12.6 m -69.44 -51.28 37.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.41 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.762 ' HB1' ' O ' ' A' ' 43' ' ' PHE . . . -59.48 -26.21 65.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.73 -39.31 80.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -75.8 -42.43 50.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.6 ' HB3' ' CE2' ' A' ' 43' ' ' PHE . 7.2 mp -78.71 0.5 26.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 1.1 m -92.06 146.53 23.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.453 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 54.4 m80 -136.34 100.19 4.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.597 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 24.8 mttt -101.27 9.96 41.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.45 -60.57 8.3 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.54 HD22 ' HB2' ' A' ' 38' ' ' PRO . 0.4 OUTLIER 80.04 131.7 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -121.86 134.97 54.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 109.229 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.485 ' HE1' HD13 ' A' ' 61' ' ' LEU . 6.2 m-30 -110.51 34.84 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.69 159.6 41.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -101.46 98.92 9.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 155.85 -24.72 0.56 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.525 1.141 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -75.02 134.75 41.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 110.316 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 3.6 m -118.89 179.18 4.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.046 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.612 ' CD1' ' N ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -136.26 149.21 48.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 p -129.87 145.42 51.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 31.4 t -139.4 142.06 37.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.997 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.1 m -96.78 113.78 25.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 110.369 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.662 ' HB2' HD11 ' A' ' 23' ' ' ILE . 4.8 m-30 -96.78 64.55 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 45.7 m -81.6 -55.25 4.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.365 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -73.12 128.2 88.11 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.428 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.2 Cg_endo -74.99 126.84 10.23 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 167.43 -170.22 41.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.103 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.2 m -114.86 126.45 54.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 110.446 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.943 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 96.8 m-85 -116.44 101.41 8.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.3 m -75.71 93.56 3.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 20.7 p90 -104.28 131.97 51.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.612 ' HB3' HG13 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -135.02 179.99 5.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 110.974 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.86 129.81 34.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 108.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.4 OUTLIER -56.12 -52.21 74.52 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -75.04 -48.64 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.495 1.787 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.99 54.25 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.569 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.04 -57.91 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.17 67.57 0.54 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.49 -47.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 144.51 44.91 0.04 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.669 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -143.81 99.28 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 0.799 . . . . 0.0 110.954 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.612 HG13 ' HB3' ' A' ' 82' ' ' TYR . 40.1 t -145.99 158.88 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -129.33 161.54 22.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -133.13 99.2 4.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 0.764 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.595 HG13 ' CE2' ' A' ' 73' ' ' PHE . 2.4 t -77.94 151.54 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.6 t -145.0 103.19 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.357 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.589 HG22 ' CD2' ' A' ' 73' ' ' PHE . 30.0 t -90.03 143.45 11.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.434 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 26.1 t70 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -144.58 178.66 7.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 1.016 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -83.45 120.59 26.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 54.4 m -90.78 128.47 36.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.365 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.641 HG22 ' HD2' ' A' ' 18' ' ' PRO . 70.8 t -136.69 102.95 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -76.66 147.28 37.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.71 ' SD ' HD11 ' A' ' 41' ' ' ILE . 54.3 mtm -110.95 40.88 1.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 150.0 106.98 0.39 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.435 1.084 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.3 p -41.3 155.92 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 110.074 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -75.78 60.32 1.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.219 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.5 t -148.93 -69.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.06 46.8 0.02 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.514 1.134 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.23 121.79 14.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 0.762 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.02 101.58 7.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.4 m -143.09 137.5 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.436 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 20.4 m-85 -85.63 103.46 14.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -133.8 127.78 19.53 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.568 1.168 . . . . 0.0 110.209 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.811 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.96 137.79 52.33 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.032 -0.109 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.9 p -60.44 -22.97 64.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.5 m -140.27 127.4 20.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.381 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.811 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -130.72 147.04 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.43 1.082 . . . . 0.0 109.345 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.3 m -132.06 100.01 4.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.858 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.1 pp -108.36 -179.38 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.577 ' O ' HD12 ' A' ' 23' ' ' ILE . 32.5 mmtp -78.46 175.36 10.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.242 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.4 115.8 27.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.67 -19.96 8.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.426 1.079 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.76 175.39 8.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 0.0 110.334 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -116.45 176.1 5.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.016 HG22 ' HB3' ' A' ' 3' ' ' ALA . 3.9 t -144.88 142.56 22.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.426 ' CG ' ' HB2' ' A' ' 68' ' ' SER . 2.0 ttpt -115.28 155.31 27.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.452 ' CH2' ' HB3' ' A' ' 71' ' ' SER . 10.6 m-90 -129.45 108.32 10.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 6.6 p -89.75 137.92 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 46.0 p30 -103.45 166.54 10.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -146.9 -66.71 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.486 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -145.28 -179.14 6.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.542 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.2 mm? 67.66 47.91 1.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.57 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -95.77 164.44 18.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 110.025 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.57 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.06 159.13 98.4 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 120.943 -2.524 . . . . 0.0 110.993 0.088 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -125.45 99.62 6.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.646 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -90.82 171.18 9.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.71 HD11 ' SD ' ' A' ' 7' ' ' MET . 66.4 mt -140.28 99.35 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -114.02 105.94 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.683 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 0.6 OUTLIER -77.23 104.9 8.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.406 1.066 . . . . 0.0 111.019 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.996 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -82.45 108.76 16.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' ALA . . . -40.08 96.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 44' ' ' ALA . 18.6 m-20 -124.46 63.45 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.38 -24.31 5.9 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.948 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -102.54 177.29 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.768 . . . . 0.0 109.273 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.484 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -74.6 141.37 44.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.231 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -61.0 -41.46 96.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.585 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 7.5 m-20 -62.09 -60.11 4.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.504 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -53.21 -36.18 60.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.419 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.571 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -79.6 -21.02 45.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.217 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -60.55 -39.91 89.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -79.41 -55.57 4.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.614 HD12 ' CE1' ' A' ' 79' ' ' TYR . 5.0 mt -49.79 -34.21 18.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 77.8 p -78.44 141.97 37.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.037 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.509 ' O ' HG13 ' A' ' 42' ' ' VAL . 22.8 m80 -108.04 179.64 4.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 109.586 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -173.39 34.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.28 -123.72 4.85 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.583 1.177 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 tp -171.79 157.83 4.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 0.783 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.22 110.91 7.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.533 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 9.1 m-85 -136.27 38.18 2.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 111.043 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.404 ' HB3' ' HG3' ' A' ' 67' ' ' GLU . . . -145.31 117.15 8.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.63 101.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 118.1 39.47 0.75 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.404 ' HG3' ' HB3' ' A' ' 64' ' ' ALA . 0.1 OUTLIER -119.71 102.49 8.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 110.302 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.426 ' HB2' ' CG ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -111.74 138.34 48.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.994 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -89.64 177.96 6.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.1 m -141.32 151.58 43.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 1.072 . . . . 0.0 110.428 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.452 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 7.3 t -144.97 143.63 30.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.999 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.527 ' O ' HD21 ' A' ' 56' ' ' LEU . 21.1 m -94.11 114.82 27.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.341 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.64 ' CB ' HD11 ' A' ' 23' ' ' ILE . 4.5 m-30 -97.24 50.98 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -72.6 -70.28 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.72 123.77 76.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 118.72 5.37 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.498 1.788 . . . . 0.0 111.041 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.64 -149.14 6.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 m -137.89 101.47 4.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 110.463 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.948 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 94.9 m-85 -98.54 131.87 44.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.2 m -109.32 117.85 35.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.402 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.58 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 31.7 p90 -114.93 141.3 48.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.996 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -144.11 179.86 6.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 111.004 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 1.055 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 3.5 m -88.86 124.92 34.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.581 1.176 . . . . 0.0 108.265 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.479 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 2.2 mt-10 -42.96 -52.57 11.38 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.523 ' HG2' ' CE1' ' A' ' 86' ' ' HIS . 18.2 Cg_endo -74.98 -30.38 7.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.523 ' CE1' ' HG2' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -116.35 68.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.143 . . . . 0.0 109.599 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.27 -50.14 4.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.294 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -110.61 48.17 0.97 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -111.67 -36.96 5.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 146.34 -30.29 1.6 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.103 . . . . 0.0 111.029 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' MET . . . . . 1.055 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.1 OUTLIER -80.95 101.16 9.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 0.796 . . . . 0.0 111.019 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.958 HG13 ' HB3' ' A' ' 82' ' ' TYR . 2.6 t -145.31 156.62 13.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.455 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -118.19 171.63 14.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.11 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.98 128.93 20.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.683 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 76.2 t -106.09 145.03 14.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.5 t -142.73 100.96 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.417 HG22 ' CD2' ' A' ' 73' ' ' PHE . 61.0 t -94.1 145.37 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.546 1.154 . . . . 0.0 109.366 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . 0.61 'CU ' ' SG ' ' A' ' 83' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -144.14 176.75 9.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.993 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -84.25 148.14 26.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.3 m -119.1 141.91 48.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.139 . . . . 0.0 110.365 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.625 HG22 ' HD2' ' A' ' 18' ' ' PRO . 38.8 t -139.8 119.21 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.0 120.81 40.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.633 ' HE3' ' HB3' ' A' ' 39' ' ' HIS . 53.2 mtm -92.54 75.86 5.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 127.25 109.08 1.55 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.9 p -40.66 152.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 0.732 . . . . 0.0 109.979 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -74.94 61.57 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.76 -57.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.041 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.98 50.98 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.4 ' O ' HG22 ' A' ' 15' ' ' VAL . . . -136.6 126.89 26.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 0.719 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.729 HD13 ' CD2' ' A' ' 86' ' ' HIS . 3.2 pp -74.5 99.72 3.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 13' ' ' ALA . 3.1 m -145.84 145.93 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.637 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 2.8 m-85 -94.0 116.93 29.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.531 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -144.35 139.43 15.7 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.338 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.886 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.02 134.37 35.64 Favored 'Cis proline' 0 C--N 1.359 1.106 0 C-N-CA 121.03 -2.487 . . . . 0.0 110.952 0.004 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.433 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 13.8 t -49.83 -30.5 9.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -135.95 123.36 22.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.886 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -123.98 133.16 70.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 m -131.11 108.59 9.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.439 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.933 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.1 pt -120.02 -179.85 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.528 ' O ' HD12 ' A' ' 23' ' ' ILE . 17.7 mmtt -78.65 175.4 10.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.28 131.02 38.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.23 -25.54 21.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.21 179.7 4.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 0.74 . . . . 0.0 110.331 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -127.3 171.14 11.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.993 HG22 ' HB3' ' A' ' 3' ' ' ALA . 3.2 t -126.68 162.74 30.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.447 1.092 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.48 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 7.9 ttmt -133.06 141.86 48.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.643 ' CZ3' ' NE2' ' A' ' 58' ' ' HIS . 7.1 m-90 -111.3 160.05 17.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 108.008 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 5' ' ' VAL . 32.9 t -145.16 111.77 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.374 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.785 ' ND2' ' HB1' ' A' ' 62' ' ' ALA . 66.6 t30 -74.69 161.16 29.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -137.8 -86.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -138.14 -179.34 5.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.412 1.07 . . . . 0.0 109.352 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.474 ' CB ' ' HB3' ' A' ' 14' ' ' LEU . 2.8 mm? 68.4 39.36 2.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.628 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -77.51 167.31 37.31 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.025 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.628 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.01 167.37 80.64 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.984 0.066 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.633 ' HB3' ' HE3' ' A' ' 7' ' ' MET . 18.0 m170 -140.38 100.32 3.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 109.552 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -105.91 161.81 14.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.668 HD13 ' CE1' ' A' ' 58' ' ' HIS . 2.1 mp -114.16 112.93 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.542 HG13 ' HG2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -120.36 101.63 11.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.618 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -80.22 97.99 7.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.525 1.141 . . . . 0.0 111.039 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.886 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -74.69 102.75 4.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.66 ' HB2' ' HA ' ' A' ' 50' ' ' ALA . . . -39.3 97.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 44' ' ' ALA . 10.7 t70 -125.9 75.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.27 -29.75 6.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.971 HG11 ' CD1' ' A' ' 79' ' ' TYR . 2.4 p -99.87 -179.55 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.529 0.782 . . . . 0.0 109.357 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.65 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -74.62 136.17 41.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.66 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . . . -58.55 -52.0 67.5 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.647 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -50.72 -47.37 59.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.373 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.609 HG21 ' OH ' ' A' ' 79' ' ' TYR . 85.7 m -59.63 -50.36 74.16 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.418 1.074 . . . . 0.0 110.374 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.64 -16.8 64.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -68.13 -44.77 75.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -81.61 -44.18 17.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.53 HD12 ' CE1' ' A' ' 79' ' ' TYR . 3.4 mt -56.44 -18.44 11.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 86.3 p -90.23 149.73 22.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.975 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.668 ' CE1' HD13 ' A' ' 41' ' ' ILE . 1.4 p80 -144.76 99.57 3.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.515 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.542 ' HG2' HG13 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -80.44 54.67 2.09 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.541 ' HA3' ' CZ ' ' A' ' 69' ' ' PHE . . . -86.96 128.1 8.76 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.461 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 4.2 mm? -79.74 123.66 27.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 0.782 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.785 ' HB1' ' ND2' ' A' ' 33' ' ' ASN . . . -89.24 100.55 13.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 6.4 m-85 -121.09 -40.96 2.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.573 1.17 . . . . 0.0 111.062 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.79 118.55 30.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.7 98.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.246 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 134.13 44.63 0.12 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.4 111.24 16.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 0.735 . . . . 0.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.5 p -112.07 139.07 47.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.962 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.541 ' CZ ' ' HA3' ' A' ' 60' ' ' GLY . 29.8 m-85 -106.21 175.24 5.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.689 HG23 ' O ' ' A' ' 29' ' ' VAL . 10.5 m -144.89 151.86 39.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.569 1.168 . . . . 0.0 110.415 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.419 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 8.1 t -141.27 135.59 30.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.172 . . . . 0.0 109.97 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.578 ' CG2' HG23 ' A' ' 74' ' ' THR . 13.1 m -81.06 118.84 22.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.354 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.602 ' CB ' HD11 ' A' ' 23' ' ' ILE . 4.0 m-30 -104.58 50.1 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.578 HG23 ' CG2' ' A' ' 72' ' ' THR . 2.5 p -73.99 -69.26 0.45 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.64 119.19 41.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.275 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 111.38 3.31 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.462 1.769 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -157.3 -140.58 2.97 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 86.4 m -144.93 93.17 2.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 0.73 . . . . 0.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.971 ' CD1' HG11 ' A' ' 48' ' ' VAL . 94.5 m-85 -90.83 135.55 33.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.077 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 21.1 m -116.18 112.6 21.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 110.436 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.586 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 32.3 p90 -114.56 142.84 45.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.886 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -145.4 -179.95 6.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 111.0 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.593 ' SG ' ' CE1' ' A' ' 86' ' ' HIS . 0.7 OUTLIER -86.26 155.9 20.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 108.305 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 6.2 mt-10 -80.85 -47.31 1.18 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 0.0 110.266 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.09 0.5 8.87 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.513 1.796 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 1.274 ' CE1' 'CU ' ' A' ' 132' ' ' ' CU' . 0.8 OUTLIER -171.78 83.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.578 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.17 11.41 37.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.64 37.97 0.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.095 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 86' ' ' HIS . . . -122.84 32.68 5.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 109.243 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 97.72 6.53 57.2 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.637 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -122.81 99.69 6.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 111.016 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.549 HG12 ' N ' ' A' ' 93' ' ' GLY . 58.0 t -146.05 168.46 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.252 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.549 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -150.44 132.5 3.96 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -116.61 121.2 41.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.744 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.61 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 55.9 t -105.11 146.73 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.2 t -145.32 101.63 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.407 HG22 ' CD2' ' A' ' 73' ' ' PHE . 31.4 t -93.66 144.62 9.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . 1.274 'CU ' ' CE1' ' A' ' 86' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.415 ' N ' ' HG3' ' A' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -76.03 128.53 35.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.844 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . -116.48 163.89 15.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.4 m -144.84 139.31 27.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.491 ' CG2' HG11 ' A' ' 21' ' ' VAL . 4.1 t -141.55 122.1 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -94.89 101.12 12.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.494 ' SD ' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -50.57 97.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.18 -173.52 19.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.561 1.163 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.9 p -102.27 159.92 14.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 0.74 . . . . 0.0 109.928 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.43 69.16 1.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.0 t 70.48 103.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.96 -72.59 0.22 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.6 173.59 11.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.777 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.621 HD13 ' CE1' ' A' ' 86' ' ' HIS . 0.6 OUTLIER -102.14 100.85 11.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.5 m -145.4 132.79 15.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.598 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 52.2 m-85 -75.44 123.09 24.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.468 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 8.1 tp10 -143.2 126.93 9.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.81 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.02 130.62 21.75 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.007 -0.02 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.435 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 82.6 p -48.87 -38.1 21.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.025 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.5 m -126.3 128.04 46.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.81 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.1 m -129.76 144.49 37.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.2 m -133.64 111.21 10.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.368 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.844 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 1.1 pt -119.32 -179.06 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.532 ' O ' HG13 ' A' ' 97' ' ' VAL . 10.9 mttt -74.64 176.79 6.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.45 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . . . -101.09 90.85 4.29 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 148.24 -17.83 1.34 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -81.81 179.39 7.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 0.796 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -120.52 176.11 5.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.275 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.568 HG21 ' CE2' ' A' ' 73' ' ' PHE . 91.9 t -136.43 127.82 43.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -101.71 136.67 41.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.382 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.433 ' O ' ' CB ' ' A' ' 68' ' ' SER . 1.0 OUTLIER -106.31 172.39 6.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 108.039 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.1 t -144.15 136.12 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -75.64 113.26 12.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -107.96 -165.9 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.448 ' CB ' HD22 ' A' ' 36' ' ' LEU . 16.8 mmtt -77.33 -178.94 5.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.554 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.2 mm? 69.36 53.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.521 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -97.35 162.13 23.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.966 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.53 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.3 Cg_endo -75.07 163.7 90.07 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 120.962 -2.516 . . . . 0.0 111.009 0.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -139.03 129.0 25.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.571 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -119.26 169.63 9.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.666 HG21 ' CE1' ' A' ' 58' ' ' HIS . 2.4 mp -133.13 99.72 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.217 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.39 113.7 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.623 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -89.66 98.51 11.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.854 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -76.5 104.54 7.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.64 97.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 44' ' ' ALA . 41.1 t0 -122.44 75.24 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.41 -26.52 8.56 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.464 1.103 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.624 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -101.29 179.84 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 0.792 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.511 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -76.34 143.51 40.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.461 1.101 . . . . 0.0 109.355 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.37 -67.66 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.765 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -40.5 -41.29 1.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.789 HG22 ' HE2' ' A' ' 79' ' ' TYR . 2.9 m -60.64 -71.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -48.13 -24.41 1.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.765 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -57.37 -70.41 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -56.49 -25.5 51.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.623 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -79.46 -19.35 50.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.407 1.067 . . . . 0.0 109.277 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 53' ' ' ALA . 87.1 p -91.62 140.78 29.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.994 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.666 ' CE1' HG21 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -128.57 99.48 5.39 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.606 1.191 . . . . 0.0 109.659 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.451 ' O ' HD22 ' A' ' 61' ' ' LEU . 0.9 OUTLIER -76.13 -32.96 59.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.66 110.22 0.1 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 2.0 mm? -69.66 158.42 35.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.276 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.44 122.43 15.59 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 3.5 m-85 -122.34 34.56 5.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.941 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.49 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . . . -138.12 128.56 26.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.75 86.54 3.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.409 1.068 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 164.08 -30.96 0.25 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.49 ' CD ' ' HB3' ' A' ' 64' ' ' ALA . 2.5 mp0 -78.25 111.28 14.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 0.3 OUTLIER -105.62 172.52 6.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -121.38 171.15 8.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.6 m -144.64 153.57 41.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 55.6 p -144.76 162.98 35.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.971 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.558 ' O ' HD11 ' A' ' 56' ' ' LEU . 6.4 m -115.8 110.83 19.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.778 ' CB ' HD11 ' A' ' 23' ' ' ILE . 4.5 m-30 -95.5 58.62 2.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 m -80.41 -65.96 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.19 122.52 70.51 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 106.23 2.23 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.537 1.809 . . . . 0.0 111.007 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.56 -152.08 5.93 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.546 1.154 . . . . 0.0 111.017 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 m -136.06 100.22 4.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 0.765 . . . . 0.0 110.361 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.789 ' HE2' HG22 ' A' ' 52' ' ' THR . 78.5 m-85 -95.37 137.02 35.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.7 p -122.0 108.73 13.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.376 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.599 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 32.7 p90 -111.06 129.01 56.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 0.0 111.013 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.854 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -133.55 -179.43 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.945 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 86' ' ' HIS . 0.5 OUTLIER -93.15 133.88 35.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 108.305 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.506 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 4.5 mt-10 -51.17 -51.62 66.44 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.568 1.168 . . . . 0.0 110.264 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -74.97 -17.03 19.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.481 1.779 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.621 ' CE1' HD13 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -131.07 65.8 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.618 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.558 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 12.3 mtp180 -86.08 -51.46 6.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 110.256 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -121.33 38.95 2.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -97.99 -40.11 8.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 154.81 -32.56 0.68 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.56 1.162 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -83.21 98.72 9.53 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.446 0.733 . . . . 0.0 110.943 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 93' ' ' GLY . 54.2 t -146.47 165.48 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.482 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -126.72 155.29 19.56 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.428 1.08 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.38 109.08 8.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 0.732 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.587 HG11 ' CE2' ' A' ' 73' ' ' PHE . 2.2 t -97.44 147.27 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.1 t -145.49 116.87 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 24' ' ' LYS . 19.9 t -102.4 149.54 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -75.02 164.09 26.91 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 109.375 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 1.003 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -77.49 145.96 36.72 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 53.3 m -137.84 129.74 28.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.799 HG22 ' HD2' ' A' ' 18' ' ' PRO . 61.2 t -126.85 145.25 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -114.62 128.84 56.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.51 ' HE1' ' HB3' ' A' ' 31' ' ' TRP . 3.2 ptp -93.57 45.77 1.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.451 ' O ' ' ND2' ' A' ' 34' ' ' ASN . . . 162.09 97.66 0.12 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.52 1.138 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.7 p -48.43 148.95 1.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 109.972 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.71 59.92 1.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.6 -62.1 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.987 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.82 44.19 0.02 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.569 1.168 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.93 124.49 13.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 0.792 . . . . 0.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.994 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -76.14 99.9 4.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.3 m -138.49 153.7 26.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.674 ' CD1' ' HE2' ' A' ' 91' ' ' MET . 11.2 m-85 -103.84 101.8 11.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 111.052 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.511 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.9 tt0 -136.33 137.2 23.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.343 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.799 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.0 Cg_endo -75.03 133.53 31.82 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.946 -2.522 . . . . 0.0 110.96 0.093 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.436 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 56.4 p -54.91 -36.0 64.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.459 1.099 . . . . 0.0 110.005 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.1 m -123.54 120.83 34.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.452 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.795 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.3 m -126.78 128.89 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.3 m -120.19 116.31 25.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.95 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.1 pt -121.39 -179.28 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -75.37 175.91 7.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.594 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -98.13 102.67 14.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 135.76 -22.64 3.46 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.496 1.122 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.35 -179.35 4.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.743 . . . . 0.0 110.276 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.51 177.79 6.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.003 HG22 ' HB3' ' A' ' 3' ' ' ALA . 24.7 t -138.51 155.43 28.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 4' ' ' THR . 12.2 ttpt -134.96 136.21 42.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.207 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.559 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 22.7 m-90 -107.84 126.28 52.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 108.027 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.1 t -104.08 128.28 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -88.51 153.77 20.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.234 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 8' ' ' GLY . 6.3 m-20 -131.61 -73.31 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.1 176.81 9.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.994 HD13 ' HB3' ' A' ' 14' ' ' LEU . 1.3 mt 72.06 69.43 0.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.561 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -110.69 163.63 16.79 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.728 ' HB2' HD12 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -74.93 162.31 93.08 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.023 -2.49 . . . . 0.0 111.052 -0.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.61 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -133.2 124.34 27.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.594 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.464 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.4 OUTLIER -119.58 163.57 17.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.232 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mt -128.01 99.8 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -106.59 120.51 57.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.608 ' CD1' ' HB3' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -92.28 103.45 15.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.859 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -79.67 106.07 11.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' ALA . . . -39.8 97.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -131.7 72.59 1.5 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.44 -12.55 9.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.693 HG11 ' CE2' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -122.17 179.63 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.524 0.779 . . . . 0.0 109.339 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.446 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -74.98 149.65 39.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.356 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -64.98 -50.64 65.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.493 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 12.7 m-20 -55.29 -52.28 63.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.752 HG22 ' HE2' ' A' ' 79' ' ' TYR . 1.3 m -57.55 -30.41 65.2 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.411 1.07 . . . . 0.0 110.378 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -86.45 -18.83 30.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -61.26 -51.46 68.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.28 -52.73 14.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.422 HD11 ' O ' ' A' ' 72' ' ' THR . 0.1 OUTLIER -50.2 -33.85 20.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 76.6 p -77.37 149.23 35.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 110.049 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.484 ' O ' HG13 ' A' ' 42' ' ' VAL . 37.7 m-70 -120.04 -179.81 4.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.692 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.401 ' O ' HD22 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -166.37 -50.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -40.59 99.23 0.01 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.467 1.104 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.728 HD12 ' HB2' ' A' ' 38' ' ' PRO . 2.2 mm? -52.99 155.1 2.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 0.745 . . . . 0.0 109.337 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -129.76 137.53 50.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.413 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 4.6 m-85 -127.85 45.39 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.92 100.24 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.86 82.39 0.2 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.67 -35.28 0.1 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.451 1.095 . . . . 0.0 110.955 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.14 160.34 30.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 0.759 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 3.3 p -145.19 133.27 21.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.011 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -78.65 166.42 22.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 53.7 m -132.29 160.6 35.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.358 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.415 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 5.6 t -145.55 147.08 31.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . 1.026 HG22 HG23 ' A' ' 74' ' ' THR . 99.4 m -92.7 128.15 38.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.156 . . . . 0.0 110.382 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.7 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 3.2 m-85 -117.46 41.59 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . 1.026 HG23 HG22 ' A' ' 72' ' ' THR . 61.3 p -67.72 -70.23 0.27 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.427 1.08 . . . . 0.0 110.414 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.404 ' N ' ' OG1' ' A' ' 74' ' ' THR . 8.2 tt0 -67.99 132.18 92.17 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 125.79 9.57 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.42 1.747 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -166.18 -161.08 14.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.5 m -133.22 94.48 3.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 0.76 . . . . 0.0 110.413 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.752 ' HE2' HG22 ' A' ' 52' ' ' THR . 74.6 m-85 -93.08 138.13 31.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 111.054 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.5 m -121.4 109.44 14.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 110.375 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.597 ' OH ' HG11 ' A' ' 5' ' ' VAL . 30.4 p90 -112.76 138.78 49.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.14 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.859 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -145.07 -179.8 6.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -78.86 120.1 22.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 108.332 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.547 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -46.32 -49.05 44.63 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.08 -57.86 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.431 ' ND1' HD13 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -82.06 53.08 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.61 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.559 ' HG3' ' CD1' ' A' ' 82' ' ' TYR . 14.3 ttp-105 -91.63 33.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.336 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 169.51 56.15 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -144.04 -53.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.43 39.99 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.444 1.09 . . . . 0.0 110.972 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.674 ' HE2' ' CD1' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -144.57 99.13 3.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.595 0.82 . . . . 0.0 110.999 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 93' ' ' GLY . 45.7 t -145.81 165.18 10.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.484 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -148.63 149.36 21.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.571 1.169 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.93 108.11 7.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.75 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.7 HG21 ' HZ ' ' A' ' 73' ' ' PHE . 1.5 t -89.81 152.7 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.3 t -145.98 105.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.665 HG22 ' CD2' ' A' ' 73' ' ' PHE . 37.3 t -89.4 145.03 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.594 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -115.77 176.9 4.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.382 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.991 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -84.05 120.14 25.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.0 m -93.01 126.81 38.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.464 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.839 HG22 ' HD2' ' A' ' 18' ' ' PRO . 24.6 t -137.92 104.42 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.15 124.43 33.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.4 ptt? -83.84 45.49 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 174.87 158.21 18.31 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.478 ' OG ' ' CG2' ' A' ' 15' ' ' VAL . 10.9 m -105.02 138.72 40.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 0.809 . . . . 0.0 109.96 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -74.78 62.45 1.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.07 -63.03 0.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 110.014 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.99 44.36 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.455 1.097 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.4 162.16 37.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.761 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.639 HD13 ' CD2' ' A' ' 86' ' ' HIS . 0.5 OUTLIER -110.75 101.9 10.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.478 ' CG2' ' OG ' ' A' ' 9' ' ' SER . 12.1 m -143.29 177.65 2.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.417 1.073 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.544 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 61.6 m-85 -121.95 119.47 31.61 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.7 OUTLIER -145.3 130.55 9.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.266 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.839 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.2 Cg_endo -74.99 136.57 45.84 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.014 -2.494 . . . . 0.0 110.995 -0.027 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.2 p -55.35 -35.1 64.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.068 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.4 m -132.24 141.4 49.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.393 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.659 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -142.86 153.27 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.2 m -131.85 100.99 5.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.391 1.057 . . . . 0.0 110.432 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.917 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.4 pp -110.46 -179.45 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.742 ' O ' HD12 ' A' ' 23' ' ' ILE . 21.6 mttt -76.35 179.79 5.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.431 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -100.76 104.71 15.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 119.99 11.63 6.87 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.753 ' HB3' HD13 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -94.51 -179.86 5.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 0.735 . . . . 0.0 110.27 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.435 ' CD ' ' O ' ' A' ' 71' ' ' SER . 3.3 tp10 -122.29 146.14 47.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.991 HG22 ' HB3' ' A' ' 3' ' ' ALA . 16.1 t -121.76 128.02 75.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.441 ' CG ' ' HB3' ' A' ' 68' ' ' SER . 1.3 ttmp? -99.95 149.47 23.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.579 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 5.2 m-90 -123.5 128.53 49.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 108.018 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.1 t -87.92 134.49 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.38 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -77.78 119.78 21.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -101.61 -173.78 2.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.779 ' C ' HD12 ' A' ' 36' ' ' LEU . 3.2 mmmt -79.97 178.86 7.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.779 HD12 ' C ' ' A' ' 35' ' ' LYS . 2.0 mp 75.45 34.18 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.382 1.051 . . . . 0.0 109.26 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.5 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -68.38 160.98 73.1 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.945 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.581 ' HB2' HD12 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -75.0 150.8 96.04 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 121.047 -2.48 . . . . 0.0 110.983 -0.018 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -132.18 100.76 5.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 109.589 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.779 ' HB3' HD13 ' A' ' 61' ' ' LEU . 11.8 p-10 -100.14 177.19 5.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.238 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.504 HD13 ' CG ' ' A' ' 31' ' ' TRP . 7.3 mt -137.35 103.32 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -106.82 125.55 62.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.613 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -100.48 95.82 6.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.954 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.797 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -75.19 127.38 33.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.14 95.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' ALA . 52.9 t0 -119.46 52.81 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.09 -9.13 7.08 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.667 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -120.57 176.58 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.463 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -75.95 141.57 42.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.903 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.07 -28.06 69.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.389 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.421 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 16.3 m-20 -69.08 -60.72 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.497 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -59.27 -24.85 63.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.413 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.42 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -85.06 -20.92 29.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -64.31 -52.52 58.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.04 -37.13 78.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.718 HD11 ' O ' ' A' ' 72' ' ' THR . 0.1 OUTLIER -70.67 -22.74 62.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.409 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.1 m -81.18 157.25 25.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.423 ' ND1' ' CD1' ' A' ' 69' ' ' PHE . 65.5 m-70 -134.23 100.27 4.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.59 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -84.55 -53.43 5.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -40.24 105.04 0.05 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.457 1.098 . . . . 0.0 111.05 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.779 HD13 ' HB3' ' A' ' 40' ' ' ASN . 2.4 mm? -50.66 179.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.24 133.78 22.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 109.232 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.574 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 11.1 m-85 -130.54 39.42 3.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.29 127.63 19.87 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.43 77.88 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.21 -33.58 0.1 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -74.54 151.59 39.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 110.321 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 67.1 m -135.54 139.52 44.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.423 ' CD1' ' ND1' ' A' ' 58' ' ' HIS . 0.8 OUTLIER -81.32 170.51 15.94 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.93 144.67 35.31 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.423 1.077 . . . . 0.0 110.409 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.435 ' O ' ' CD ' ' A' ' 28' ' ' GLU . 1.3 p -141.78 160.31 40.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.718 ' O ' HD11 ' A' ' 56' ' ' LEU . 13.7 m -110.48 127.66 55.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.393 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.685 ' CB ' HD11 ' A' ' 23' ' ' ILE . 4.6 m-30 -106.34 52.4 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.6 m -72.28 -61.34 1.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 110.447 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.26 119.49 62.46 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.421 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.1 Cg_endo -75.08 106.22 2.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.79 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.0 -148.57 5.09 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 51.5 m -138.48 99.3 3.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 0.728 . . . . 0.0 110.453 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.682 ' CE2' HD13 ' A' ' 56' ' ' LEU . 69.1 m-85 -89.71 145.43 25.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 111.083 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.6 m -129.9 111.93 13.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.355 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.613 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 29.5 p90 -114.11 139.33 49.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.797 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -137.1 177.91 7.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.951 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 1.28 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 94.4 m -82.05 133.04 35.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 108.335 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 1.1 mt-10 -57.18 -50.53 87.65 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.11 -46.52 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.503 1.791 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.639 ' CD2' HD13 ' A' ' 14' ' ' LEU . 1.4 m-70 -93.35 42.81 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.596 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -68.05 -53.28 26.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 110.34 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -110.15 52.45 0.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.39 -41.8 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 138.35 45.05 0.08 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.567 1.167 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' MET . . . . . 1.28 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.3 OUTLIER -144.9 99.65 3.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 111.048 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.539 HG12 ' N ' ' A' ' 93' ' ' GLY . 38.3 t -146.0 169.54 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.539 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -135.71 175.56 20.71 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -144.74 134.87 24.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 0.0 109.246 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.585 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 2.1 t -120.86 148.61 23.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.6 t -138.51 113.69 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.548 HG22 ' CD2' ' A' ' 73' ' ' PHE . 89.2 t -96.31 142.08 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.431 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.59 173.51 9.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.231 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 1.027 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -77.63 148.2 35.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.9 m -131.26 149.55 52.52 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 0.0 110.369 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 31' ' ' TRP . 95.4 t -144.14 111.61 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.356 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -87.76 137.38 32.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.463 ' HB3' ' HE3' ' A' ' 7' ' ' MET . 11.9 tmm? -111.24 121.09 44.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 111.014 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 9' ' ' SER . . . 84.95 91.73 0.8 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.431 1.082 . . . . 0.0 111.008 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 8' ' ' GLY . 80.9 p -38.25 151.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 0.735 . . . . 0.0 110.024 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -74.79 58.53 0.83 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.47 -65.02 0.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.041 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.16 45.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.556 1.16 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.11 120.09 10.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.702 HD13 ' ND1' ' A' ' 86' ' ' HIS . 0.5 OUTLIER -75.59 100.91 4.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.2 m -144.94 135.3 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.592 1.182 . . . . 0.0 109.218 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.572 ' CE2' ' HG2' ' A' ' 91' ' ' MET . 93.2 m-85 -84.93 117.75 24.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 2.4 mt-10 -145.33 126.18 7.44 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.509 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.0 134.8 37.6 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.998 -2.501 . . . . 0.0 111.048 -0.069 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.9 p -64.3 -29.74 70.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.952 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.7 m -124.57 124.69 42.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.509 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -133.46 138.07 51.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.225 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -126.15 101.41 6.75 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 0.0 110.389 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.89 HG21 ' HB2' ' A' ' 3' ' ' ALA . 2.0 pt -111.62 -178.57 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.157 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -73.69 177.24 5.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.585 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -99.02 91.51 5.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 145.66 -16.47 1.81 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.465 1.103 . . . . 0.0 111.047 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.505 ' HB3' HD12 ' A' ' 23' ' ' ILE . 3.2 tt0 -75.19 179.22 5.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.754 . . . . 0.0 110.315 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -123.95 153.88 40.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.027 HG22 ' HB3' ' A' ' 3' ' ' ALA . 10.7 t -127.25 129.24 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -99.29 148.35 24.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.436 ' O ' ' HA ' ' A' ' 68' ' ' SER . 5.0 m-90 -115.64 101.54 8.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 1.146 . . . . 0.0 107.986 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 11.5 t -85.99 148.46 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -121.3 171.82 8.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.245 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -152.61 -69.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.581 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -131.04 -179.71 5.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.601 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 2.3 mm? 66.38 69.95 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.582 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -131.1 164.27 43.44 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.985 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.582 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.02 163.84 89.77 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.963 -2.515 . . . . 0.0 111.032 -0.036 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.601 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -145.39 135.63 23.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 109.625 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -105.94 175.18 5.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 74.9 mt -142.43 99.22 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.426 ' CG1' ' HG2' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -112.75 122.42 66.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.615 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -92.97 100.71 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 111.042 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.987 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -75.96 132.19 40.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.0 91.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -119.16 78.0 1.25 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.17 -26.53 16.68 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.831 HG11 ' CE1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -101.15 -179.75 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.581 0.813 . . . . 0.0 109.359 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.521 ' O ' HG13 ' A' ' 48' ' ' VAL . 2.9 m-20 -74.86 167.74 21.28 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.54 -69.96 0.5 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.633 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 2.2 m-20 -41.47 -47.12 3.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.517 HG22 ' HE1' ' A' ' 79' ' ' TYR . 1.6 m -53.53 -53.72 47.54 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.115 . . . . 0.0 110.451 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -66.61 -22.34 66.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -65.68 -27.2 68.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.48 -38.24 14.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.611 HD12 ' CE1' ' A' ' 79' ' ' TYR . 4.8 mt -74.15 -22.06 59.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 53' ' ' ALA . 23.2 m -74.22 137.8 43.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -114.96 99.51 7.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.644 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.426 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 4.8 mtpm? -101.41 52.57 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.605 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -108.23 -154.09 17.39 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.834 HD12 ' CE1' ' A' ' 63' ' ' PHE . 0.5 OUTLIER -140.2 111.14 6.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.19 99.9 10.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.834 ' CE1' HD12 ' A' ' 61' ' ' LEU . 3.7 m-85 -132.88 41.87 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.03 116.8 8.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.99 87.45 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.86 44.08 0.16 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.92 143.33 48.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 0.726 . . . . 0.0 110.365 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 32.3 p -144.07 133.86 23.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.025 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.418 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 4.2 m-85 -76.72 -179.81 5.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 p -142.51 141.31 32.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.366 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.3 t -128.25 142.96 51.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.033 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 29.1 m -94.01 96.35 9.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.354 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.594 ' CD2' HD11 ' A' ' 23' ' ' ILE . 3.8 m-30 -82.42 56.8 3.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.6 m -85.23 -64.13 1.21 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.89 126.85 88.12 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 115.62 4.34 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -170.09 -147.11 5.39 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.3 m -144.02 112.13 6.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 0.785 . . . . 0.0 110.397 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.831 ' CE1' HG11 ' A' ' 48' ' ' VAL . 96.1 m-85 -104.63 142.91 33.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.4 m -118.87 110.08 16.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.083 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.573 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 52.0 p90 -105.29 134.77 47.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.987 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -145.9 -179.29 6.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 0.0 110.985 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 1.041 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 8.4 m -85.31 147.09 26.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 108.328 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.517 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 2.1 mt-10 -70.1 -50.81 15.4 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.97 -45.46 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.786 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.702 ' ND1' HD13 ' A' ' 14' ' ' LEU . 26.5 m170 -92.02 38.38 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 109.636 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 87' ' ' ARG . 5.3 ttp-105 -65.39 -59.39 4.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 110.329 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.23 69.42 0.3 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.27 -47.35 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 0.81 . . . . 0.0 109.292 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 147.07 44.71 0.03 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.577 1.173 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' MET . . . . . 1.041 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.7 OUTLIER -145.17 98.88 3.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.405 0.709 . . . . 0.0 110.995 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.544 HG12 ' N ' ' A' ' 93' ' ' GLY . 40.7 t -146.54 169.56 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.544 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -142.72 156.46 26.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.23 143.4 50.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 0.794 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.544 ' CG1' ' CE2' ' A' ' 73' ' ' PHE . 40.8 t -122.79 146.91 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.6 t -138.99 102.65 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.379 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.493 HG22 ' CD2' ' A' ' 73' ' ' PHE . 32.8 t -99.16 140.49 18.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.585 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 1.8 t0 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -81.91 173.57 12.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 109.233 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.919 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . -82.37 156.89 23.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 99.0 m -141.65 137.96 32.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.356 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.645 HG11 ' OH ' ' A' ' 81' ' ' TYR . 46.8 t -144.35 109.11 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.212 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -74.63 142.41 44.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.452 ' HE3' ' HB3' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -95.88 89.47 5.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 9' ' ' SER . . . 93.13 127.41 4.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 8' ' ' GLY . 0.8 OUTLIER -43.06 166.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 110.01 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.417 ' O ' ' HB3' ' A' ' 11' ' ' SER . 10.9 p30 -73.17 67.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.417 ' HB3' ' O ' ' A' ' 10' ' ' ASP . 35.7 t 66.85 99.62 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.989 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.13 -65.59 0.2 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.31 133.64 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.526 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -75.42 99.79 4.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.0 m -145.26 133.23 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.137 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.507 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 82.8 m-85 -79.15 116.0 19.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.452 1.095 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.458 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -141.24 126.23 10.76 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 110.318 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.634 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.0 130.19 20.64 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.039 -2.484 . . . . 0.0 111.0 0.037 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.426 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 84.7 p -37.86 -39.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.08 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 94' ' ' LYS . 7.3 t -151.36 157.93 43.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.427 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.838 HG21 ' HB1' ' A' ' 3' ' ' ALA . 0.8 OUTLIER -139.77 168.34 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.361 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.489 HG23 HG12 ' A' ' 96' ' ' VAL . 18.7 m -133.78 103.17 5.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.423 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.919 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 6.8 pt -109.96 -179.83 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.436 ' O ' HG13 ' A' ' 97' ' ' VAL . 5.6 mmtt -75.05 178.04 5.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.469 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -97.43 93.71 6.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.361 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.0 -19.11 2.15 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.795 ' HB3' HD12 ' A' ' 23' ' ' ILE . 2.3 tt0 -76.15 -179.85 5.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 0.733 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -124.97 -179.5 4.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.941 HG21 ' CE2' ' A' ' 73' ' ' PHE . 38.4 t -131.86 162.56 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.583 1.177 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.445 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 1.5 tttp -137.8 131.46 31.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.338 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.561 ' CD1' HD13 ' A' ' 41' ' ' ILE . 10.5 m-90 -105.54 156.52 18.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 108.008 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.5 t -140.0 129.66 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -95.14 150.83 19.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.584 1.177 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -131.88 -77.01 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.11 176.54 9.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.526 HD13 ' HB3' ' A' ' 14' ' ' LEU . 0.4 OUTLIER 80.0 45.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.566 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -91.89 163.94 25.7 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.969 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.566 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.01 164.39 88.51 Favored 'Cis proline' 0 C--N 1.359 1.104 0 C-N-CA 121.049 -2.48 . . . . 0.0 110.962 0.008 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.643 ' H ' ' HB3' ' A' ' 62' ' ' ALA . 0.7 OUTLIER -139.23 137.55 36.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -124.53 172.64 9.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.631 HG22 ' CE1' ' A' ' 43' ' ' PHE . 9.8 mt -139.66 99.27 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -111.41 126.85 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.631 ' CE1' HG22 ' A' ' 41' ' ' ILE . 2.4 m-85 -95.1 103.18 15.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.593 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -79.46 101.45 8.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.78 97.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.2 m-20 -124.39 85.28 2.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.99 -34.18 5.59 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.57 1.169 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.045 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -89.49 -178.86 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.792 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.524 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -74.06 169.18 18.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.62 -59.78 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.641 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -52.37 -54.77 27.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.507 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 16.4 m -46.37 -61.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.438 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.495 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -56.3 -34.2 66.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -58.41 -21.91 52.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.13 -30.03 16.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.241 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.605 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 5.7 mp -92.09 -1.43 57.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.542 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -83.83 119.76 25.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 110.006 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 3.5 m-70 -94.5 170.28 9.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.59 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.21 52.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.485 ' HA3' ' CZ ' ' A' ' 69' ' ' PHE . . . -107.13 138.7 14.62 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -86.69 128.83 35.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 0.792 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.643 ' HB3' ' H ' ' A' ' 39' ' ' HIS . . . -89.87 120.21 30.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.513 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 8.7 m-85 -146.86 -45.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.601 1.188 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.55 116.14 27.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.44 92.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.165 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.17 44.98 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.024 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.16 100.98 7.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 110.241 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 10.2 p -108.82 125.54 52.08 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 32.4 m-85 -92.9 173.1 7.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.805 HG23 ' O ' ' A' ' 29' ' ' VAL . 11.2 m -145.96 149.89 35.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.5 t -138.34 144.57 40.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.929 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.574 ' O ' HD11 ' A' ' 56' ' ' LEU . 18.8 m -93.51 107.26 19.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.941 ' CE2' HG21 ' A' ' 29' ' ' VAL . 5.9 m-30 -91.61 50.85 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.6 m -70.68 -64.47 0.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.404 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -62.1 122.86 75.24 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 123.09 7.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 177.64 -138.69 3.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.433 1.083 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.0 t -145.18 130.38 18.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 110.371 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 1.045 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 93.2 m-85 -126.84 113.37 16.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 61.3 p -95.14 118.69 32.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.645 ' OH ' HG11 ' A' ' 5' ' ' VAL . 36.8 p90 -119.49 142.28 48.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.593 ' CZ ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -141.19 179.91 6.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.62 146.77 32.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 108.362 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.499 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -73.28 -51.86 5.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.266 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -74.89 -49.48 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.538 1.809 . . . . 0.0 111.057 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -91.12 46.58 1.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.633 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.405 ' NH1' ' HB3' ' A' ' 87' ' ' ARG . 16.0 ttp-105 -67.97 -55.46 12.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.91 60.67 0.34 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.58 1.175 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.14 -46.08 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 144.83 43.76 0.04 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.507 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -145.44 100.18 3.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.623 0.837 . . . . 0.0 111.047 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 93' ' ' GLY . 97.2 t -142.92 165.98 15.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.515 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -136.43 174.48 21.5 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 20' ' ' THR . 2.2 tttp -144.99 148.52 33.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 109.327 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.713 HG13 ' CE2' ' A' ' 73' ' ' PHE . 40.5 t -127.19 144.35 37.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.489 HG12 HG23 ' A' ' 22' ' ' THR . 7.3 t -138.39 120.36 17.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.435 1.084 . . . . 0.0 109.263 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.492 HG11 ' O ' ' A' ' 73' ' ' PHE . 48.8 t -121.76 139.61 48.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.469 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -142.67 179.17 7.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 1.073 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -75.28 131.15 40.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.413 1.071 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.9 m -90.52 125.4 35.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.404 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.59 ' CG2' HG11 ' A' ' 21' ' ' VAL . 21.5 t -143.5 100.43 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.368 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -87.45 135.22 33.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.623 ' SD ' HD11 ' A' ' 41' ' ' ILE . 1.0 OUTLIER -75.37 -121.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 9' ' ' SER . . . -43.83 122.82 4.33 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.417 1.073 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 8' ' ' GLY . 83.6 p -43.13 165.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.967 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -74.59 68.71 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.22 95.04 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.068 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.51 -71.2 0.14 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.82 132.41 20.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.772 . . . . 0.0 109.268 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.04 99.99 4.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.4 m -145.15 141.97 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.57 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 71.5 m-85 -80.01 124.98 29.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.568 1.167 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -137.99 131.82 16.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 110.276 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.893 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.6 Cg_endo -74.94 132.61 28.12 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 121.001 -2.499 . . . . 0.0 111.034 -0.059 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.429 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 38.0 p -42.64 -37.02 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.5 m -133.39 117.73 17.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.374 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.893 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -114.64 144.77 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.461 HG23 HG12 ' A' ' 96' ' ' VAL . 17.3 m -133.4 103.71 6.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 1.022 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.1 pt -111.55 176.83 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.481 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -74.92 173.63 10.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.355 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.93 131.07 38.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.94 -11.97 57.52 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.37 178.19 7.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 0.799 . . . . 0.0 110.346 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 28' ' ' GLU . 8.7 mp0 -121.4 179.8 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.073 HG22 ' HB3' ' A' ' 3' ' ' ALA . 2.4 t -139.09 160.11 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 2.1 ttmt -129.71 152.12 49.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.571 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 11.1 m-90 -123.11 154.69 38.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 108.038 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.8 t -138.54 114.87 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.663 ' ND2' ' HB1' ' A' ' 62' ' ' ALA . 32.0 t30 -87.03 135.74 33.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -111.09 -87.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.244 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.529 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.3 mttt -131.43 179.47 6.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 109.238 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 35' ' ' LYS . 0.8 OUTLIER 76.2 54.07 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.516 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -94.78 161.17 29.53 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 110.007 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.516 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.96 156.81 99.89 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.97 -2.513 . . . . 0.0 111.066 -0.031 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.821 ' H ' ' HB3' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -136.81 99.65 4.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.669 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -94.96 175.94 6.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.69 HG22 ' CE1' ' A' ' 43' ' ' PHE . 3.0 mt -134.6 98.49 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.246 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.423 HG13 ' CG ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -108.37 127.1 64.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 0.0 109.291 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.69 ' CE1' HG22 ' A' ' 41' ' ' ILE . 2.2 m-85 -98.04 113.02 24.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.483 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -92.38 109.44 20.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.2 96.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 44' ' ' ALA . 27.4 t70 -122.49 80.44 1.73 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.83 -33.68 5.63 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.583 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -91.37 179.41 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.265 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.443 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -77.29 138.03 39.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.411 1.069 . . . . 0.0 109.311 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' ASP . . . -51.91 -67.77 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.868 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -40.33 -53.69 2.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.771 HG22 ' HE2' ' A' ' 79' ' ' TYR . 2.0 m -49.81 -68.35 0.18 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.49 1.119 . . . . 0.0 110.37 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.539 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -51.91 -23.33 4.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.868 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -63.21 -37.72 88.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.13 -33.17 56.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.67 HD21 ' O ' ' A' ' 72' ' ' THR . 6.8 mp -85.2 -1.21 56.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.385 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.57 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -84.32 117.02 23.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.984 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.505 ' HE2' ' H ' ' A' ' 70' ' ' THR . 1.1 m-70 -94.55 166.39 12.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.565 1.166 . . . . 0.0 109.632 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -173.04 63.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -118.3 129.69 8.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.715 HD11 ' CD1' ' A' ' 63' ' ' PHE . 1.8 tm? -58.61 134.51 56.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.821 ' HB3' ' H ' ' A' ' 39' ' ' HIS . . . -110.97 99.2 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.715 ' CD1' HD11 ' A' ' 61' ' ' LEU . 1.4 m-85 -145.58 28.6 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 0.0 111.099 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 66' ' ' GLY . . . -142.46 119.79 11.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.38 77.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 153.29 44.35 0.02 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.71 135.61 50.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 0.772 . . . . 0.0 110.272 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.4 m -143.72 122.76 12.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.987 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.421 ' HB3' ' NE2' ' A' ' 58' ' ' HIS . 14.2 m-85 -98.3 174.26 6.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 111.022 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.505 ' H ' ' HE2' ' A' ' 58' ' ' HIS . 12.6 m -143.57 151.15 39.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.366 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.7 t -138.23 158.89 43.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.67 ' O ' HD21 ' A' ' 56' ' ' LEU . 5.6 m -105.19 111.78 24.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.693 ' CE2' HG13 ' A' ' 95' ' ' VAL . 3.8 m-30 -102.65 62.12 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.584 HG23 HG22 ' A' ' 72' ' ' THR . 1.3 p -82.07 -62.57 1.59 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.419 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.1 126.42 92.74 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.355 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.94 111.25 3.28 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.449 1.763 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -165.36 -145.71 4.52 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.7 m -143.22 113.95 7.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 110.373 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.771 ' HE2' HG22 ' A' ' 52' ' ' THR . 80.8 m-85 -104.1 108.23 19.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 21.7 m -85.64 103.4 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.419 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.43 ' CE2' ' CD1' ' A' ' 16' ' ' PHE . 27.0 p90 -112.74 149.47 32.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 111.05 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.585 ' HB3' HG13 ' A' ' 92' ' ' VAL . 0.3 OUTLIER -144.19 -179.67 6.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.964 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.516 ' SG ' ' CZ ' ' A' ' 16' ' ' PHE . 3.7 m -79.48 142.93 35.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 108.312 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.528 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -76.13 -50.12 3.06 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.566 1.166 . . . . 0.0 110.295 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -75.0 0.25 9.14 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.507 ' CE1' ' HG2' ' A' ' 85' ' ' PRO . 0.8 OUTLIER -143.23 49.23 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.624 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.3 ptt85 -95.33 52.99 1.45 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.082 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 161.85 51.62 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.483 1.115 . . . . 0.0 111.051 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.89 -46.8 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.761 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 142.33 45.12 0.05 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.12 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.57 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 6.2 ttt -140.9 99.41 3.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.585 HG13 ' HB3' ' A' ' 82' ' ' TYR . 30.2 t -145.81 159.25 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -116.89 178.2 17.07 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.502 1.126 . . . . 0.0 110.934 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -145.35 99.14 3.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.254 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.693 HG13 ' CE2' ' A' ' 73' ' ' PHE . 5.0 t -79.03 147.9 6.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.461 HG12 HG23 ' A' ' 22' ' ' THR . 8.4 t -144.04 123.29 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.62 HG22 ' CD2' ' A' ' 73' ' ' PHE . 41.6 t -120.82 137.19 55.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.77 170.19 13.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 1.053 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -75.21 124.7 27.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 92.0 m -97.23 118.41 33.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.6 t -136.93 159.4 36.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.357 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -138.55 162.62 34.1 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.477 ' O ' ' HE3' ' A' ' 91' ' ' MET . 9.4 ptp -91.39 -29.07 17.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -133.71 -179.28 16.23 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 m -107.26 144.08 34.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.767 . . . . 0.0 109.976 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -76.31 57.54 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.588 1.18 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.04 -75.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.99 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.06 44.0 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.11 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.92 123.83 12.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.728 HD12 ' SD ' ' A' ' 91' ' ' MET . 1.4 pp -79.76 99.52 7.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.398 1.061 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.7 m -145.29 167.03 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.429 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 33.0 m-85 -107.73 114.11 27.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 11.0 tt0 -145.37 129.57 8.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.363 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.606 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.06 129.1 17.77 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.005 0.068 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.476 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 60.4 p -55.52 -39.14 70.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.016 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.1 m -123.05 133.48 54.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.409 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.606 HG12 ' HG2' ' A' ' 18' ' ' PRO . 3.1 m -135.69 153.7 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.4 m -133.87 102.06 5.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.442 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 1.001 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.1 pt -111.19 -179.62 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.534 ' O ' HD12 ' A' ' 23' ' ' ILE . 15.7 mttt -81.01 178.46 8.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.678 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -98.04 88.99 4.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 146.52 -16.8 1.65 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.98 -179.76 4.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.753 . . . . 0.0 110.331 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -124.88 171.9 9.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.226 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.053 HG22 ' HB3' ' A' ' 3' ' ' ALA . 4.4 t -130.09 149.37 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -123.42 139.88 53.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -119.4 119.66 34.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 0.0 107.988 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.0 t -87.94 141.94 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -77.44 136.34 38.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -134.6 -179.0 5.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 177.89 6.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER 78.67 47.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.944 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.545 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -89.31 162.66 36.48 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.545 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.92 164.56 88.07 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.049 -0.111 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.701 ' H ' ' HB3' ' A' ' 62' ' ' ALA . 0.6 OUTLIER -139.84 99.93 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.179 . . . . 0.0 109.522 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -88.45 178.41 6.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.731 HG21 ' NE2' ' A' ' 58' ' ' HIS . 95.3 mt -144.01 101.03 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.741 HG13 ' HG2' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -114.5 120.91 65.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 109.324 179.947 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.584 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -94.59 100.73 12.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.542 1.151 . . . . 0.0 110.986 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.85 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -76.21 106.29 7.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.422 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -50.1 95.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.8 OUTLIER -111.22 76.19 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.27 -25.45 12.49 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.813 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 1.3 p -94.49 175.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 0.776 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.509 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -74.74 131.69 41.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.58 -46.3 70.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.18 . . . . 0.0 109.378 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.835 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 1.0 OUTLIER -49.68 -54.98 15.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.26 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.642 HG21 ' OH ' ' A' ' 79' ' ' TYR . 27.2 m -55.46 -66.47 0.41 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.443 1.089 . . . . 0.0 110.393 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -42.9 -28.6 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.835 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -61.96 -70.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.14 -29.88 58.65 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.821 HD12 ' CE1' ' A' ' 79' ' ' TYR . 6.3 mt -73.45 -32.05 64.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 53' ' ' ALA . 97.4 p -76.81 144.83 38.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.731 ' NE2' HG21 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -137.03 99.42 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.591 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.741 ' HG2' HG13 ' A' ' 42' ' ' VAL . 16.8 mttt -85.3 56.09 3.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -88.53 151.07 22.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -86.27 135.85 33.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 109.389 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.701 ' HB3' ' H ' ' A' ' 39' ' ' HIS . . . -109.78 112.48 24.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -140.15 -46.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.1 117.65 25.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.63 109.86 6.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.8 -20.53 2.17 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.552 1.157 . . . . 0.0 111.047 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -83.52 115.38 22.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 0.804 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.9 m -108.39 155.51 20.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 110.051 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -107.58 170.03 8.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.045 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 28.8 m -142.91 152.6 42.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.443 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.466 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 35.5 p -143.19 161.48 38.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.579 ' O ' HD21 ' A' ' 56' ' ' LEU . 22.4 m -115.72 110.47 19.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.44 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.715 ' CB ' HD11 ' A' ' 23' ' ' ILE . 5.6 m-30 -93.83 49.75 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 m -70.59 -55.9 7.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 110.465 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.56 123.15 88.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.265 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 128.17 11.28 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.547 1.814 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -177.1 -150.86 8.62 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.499 1.124 . . . . 0.0 111.079 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 m -137.92 92.48 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 0.743 . . . . 0.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.821 ' CE1' HD12 ' A' ' 56' ' ' LEU . 88.3 m-85 -90.85 135.42 33.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 45.7 m -118.52 109.66 16.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.575 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 38.4 p90 -108.82 137.97 45.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.85 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -145.01 -179.67 6.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -79.31 136.67 37.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.081 . . . . 0.0 108.34 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.483 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -65.1 -52.6 47.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -74.89 -42.23 0.57 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.491 1.785 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.548 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . 2.6 m170 -100.46 49.02 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.626 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -46.09 85.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.28 50.53 0.78 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.548 ' HB3' ' HB3' ' A' ' 86' ' ' HIS . . . -129.88 53.18 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 43.33 42.92 5.78 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.728 ' SD ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -138.87 98.52 3.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 0.774 . . . . 0.0 111.048 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.554 HG12 ' N ' ' A' ' 93' ' ' GLY . 92.9 t -146.54 168.22 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.554 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -141.87 124.03 2.37 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.395 1.059 . . . . 0.0 111.107 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.19 119.82 40.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.626 HG11 ' CE2' ' A' ' 73' ' ' PHE . 3.3 t -107.7 138.86 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.414 1.071 . . . . 0.0 109.386 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.2 t -131.14 112.16 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 45.8 t -103.72 138.79 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.678 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 30.5 m-20 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -145.36 -179.77 6.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.988 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -132.94 145.02 50.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 83.3 m -145.13 129.56 17.86 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.84 HG11 ' OH ' ' A' ' 81' ' ' TYR . 71.2 t -129.98 124.39 58.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.33 145.94 35.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.41 ' SD ' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -49.75 -58.83 4.56 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.43 1.081 . . . . 0.0 110.983 -179.967 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -130.14 -102.86 1.0 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.445 ' C ' ' ND2' ' A' ' 34' ' ' ASN . 89.4 p -152.52 156.74 39.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 110.021 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -86.35 69.45 10.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.0 t -162.27 -77.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.929 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.24 39.11 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.69 140.19 36.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.77 . . . . 0.0 109.269 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.796 HD23 ' HG ' ' A' ' 36' ' ' LEU . 1.6 pp -96.04 100.2 11.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.7 m -144.88 132.02 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.555 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 45.6 m-85 -77.67 112.98 15.05 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.45 1.094 . . . . 0.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -142.89 133.2 12.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.962 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.742 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -74.99 132.58 28.03 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.96 0.001 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.435 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 80.0 p -48.62 -36.79 16.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.967 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.4 m -128.51 135.4 49.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.399 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.742 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -138.25 161.53 31.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.9 m -128.42 106.82 9.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.349 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.69 HD13 HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -110.49 145.32 17.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.337 179.931 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.489 ' O ' ' CD1' ' A' ' 23' ' ' ILE . 3.4 mtpp -73.59 169.49 17.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.83 141.63 40.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.48 -9.09 59.67 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.544 1.152 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -80.99 169.39 17.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 110.303 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 28' ' ' GLU . 21.8 pm0 -119.62 164.96 15.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.988 HG22 ' HB3' ' A' ' 3' ' ' ALA . 45.9 t -132.91 131.19 59.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.153 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.427 ' HG2' ' N ' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -105.53 145.1 31.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.279 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.472 ' HZ3' ' HG ' ' A' ' 71' ' ' SER . 3.8 m-90 -122.4 116.45 24.03 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.8 t -84.96 148.26 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.363 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -74.9 158.06 34.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.445 ' ND2' ' C ' ' A' ' 9' ' ' SER . 4.2 m120 -150.46 -174.27 4.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -179.2 4.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.796 ' HG ' HD23 ' A' ' 14' ' ' LEU . 3.2 mm? 66.35 28.71 9.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.374 -179.906 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.515 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -75.12 161.82 75.71 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.53 1.144 . . . . 0.0 109.97 -179.911 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.515 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.01 162.71 92.31 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.04 -2.483 . . . . 0.0 110.961 -0.006 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -130.58 101.23 5.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.564 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 59' ' ' LYS . 3.2 m120 -78.96 168.54 19.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.372 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.41 HD11 ' SD ' ' A' ' 7' ' ' MET . 96.8 mt -142.42 99.38 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.405 HG21 ' HG3' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -115.17 127.32 72.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.595 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -100.95 98.92 9.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.988 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.816 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -74.03 119.07 17.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.57 95.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.405 1.065 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.621 ' O ' HG23 ' A' ' 78' ' ' THR . 0.5 OUTLIER -121.98 87.17 2.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.14 -24.46 32.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.577 1.173 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.514 HG13 ' N ' ' A' ' 49' ' ' ASP . 0.3 OUTLIER -102.25 -179.94 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 109.234 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.514 ' N ' HG13 ' A' ' 48' ' ' VAL . 2.0 m-20 -74.79 169.59 17.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.405 1.066 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -78.04 -65.46 0.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.211 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -49.32 -36.18 20.39 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.496 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 15.7 m -64.62 -38.26 90.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.357 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.91 -8.09 52.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -69.64 -46.3 66.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.415 1.072 . . . . 0.0 109.375 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.33 -51.01 7.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.998 HD21 ' O ' ' A' ' 72' ' ' THR . 0.3 OUTLIER -49.45 -24.56 2.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.412 ' CB ' ' H ' ' A' ' 43' ' ' PHE . 32.0 p -81.83 154.89 25.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -121.19 178.19 4.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.555 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.445 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -151.74 -49.41 0.11 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 179.91 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -40.08 139.49 1.11 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.49 1.119 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.594 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -109.9 128.01 55.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 0.805 . . . . 0.0 109.324 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.436 ' C ' ' CD1' ' A' ' 63' ' ' PHE . . . -95.36 157.31 15.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.393 1.058 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.436 ' CD1' ' C ' ' A' ' 62' ' ' ALA . 2.3 m-85 -136.59 -43.61 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.53 142.09 44.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.243 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.12 61.46 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.59 1.181 . . . . 0.0 109.259 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -178.06 35.38 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -135.97 100.17 4.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.595 0.82 . . . . 0.0 110.298 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 24.0 p -113.36 147.98 36.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.96 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -93.18 176.14 6.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 m -144.62 143.1 30.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 110.366 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.472 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 43.9 p -143.73 154.66 43.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.998 ' O ' HD21 ' A' ' 56' ' ' LEU . 2.3 m -132.0 126.05 33.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 110.419 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.869 ' CD2' HG21 ' A' ' 97' ' ' VAL . 2.8 m-85 -98.12 67.86 1.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 -179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 m -50.11 -36.81 31.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.366 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.416 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 3.9 mt-10 -109.05 135.08 20.21 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 18.2 Cg_endo -75.07 121.68 6.7 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 110.937 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -159.6 -142.51 3.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 78' ' ' THR . 8.7 t -145.15 94.85 2.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 110.442 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.764 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 58.0 m-85 -87.66 132.23 34.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 111.019 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.4 m -119.87 114.58 22.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.429 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.84 ' OH ' HG11 ' A' ' 5' ' ' VAL . 27.3 p90 -117.42 145.5 44.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.036 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.816 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -144.95 -179.76 6.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.78 119.66 22.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 108.214 -179.889 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.507 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -49.2 -51.09 59.86 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -75.01 -49.17 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.801 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -90.96 46.17 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.58 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -62.94 -59.06 5.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.57 64.5 0.27 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.0 -49.64 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.615 0.832 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 153.21 43.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.606 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -145.67 99.2 3.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 110.991 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.535 HG12 ' N ' ' A' ' 93' ' ' GLY . 57.9 t -143.62 167.98 12.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.535 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -149.8 164.32 29.51 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.473 1.108 . . . . 0.0 111.069 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -142.79 149.08 38.19 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.582 0.813 . . . . 0.0 109.295 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.585 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 59.2 t -135.14 126.5 46.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.7 t -109.72 130.14 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.075 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.869 HG21 ' CD2' ' A' ' 73' ' ' PHE . 98.1 t -127.26 147.02 32.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.375 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 -179.969 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.423 ' N ' ' HD2' ' A' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -84.81 134.82 34.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.871 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -118.28 152.58 35.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.2 m -135.72 142.43 45.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.59 1.181 . . . . 0.0 110.384 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.489 HG22 HG11 ' A' ' 21' ' ' VAL . 22.1 t -144.67 136.35 21.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 7' ' ' MET . 10.3 mttt -123.54 104.25 8.93 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.443 1.089 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.42 ' O ' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -45.78 174.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 37.38 -136.47 0.73 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.65 154.88 21.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.752 . . . . 0.0 109.986 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.1 67.41 6.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 t -165.06 -69.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.97 40.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.3 129.25 17.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.782 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 pp -90.91 99.11 12.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.6 m -144.05 160.58 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.564 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 22.4 m-85 -95.85 119.1 33.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 9.7 tm-20 -145.36 126.81 7.67 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.56 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -74.96 132.71 28.46 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.043 -2.482 . . . . 0.0 111.021 -0.073 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 98.2 p -56.85 -28.95 62.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.4 m -128.39 124.66 36.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.383 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.56 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -141.81 137.65 31.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 9.6 t -139.86 139.45 36.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 0.0 110.423 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.842 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 4.1 pt -134.04 -177.39 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.223 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 1' ' ' ALA . 14.6 mttm -73.24 -179.87 3.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.629 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -100.08 106.85 18.63 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.04 -10.35 7.0 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.577 1.173 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.7 ' HB3' HD12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -86.11 -179.41 6.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 0.731 . . . . 0.0 110.335 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -123.91 179.27 4.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.248 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.871 HG22 ' HB3' ' A' ' 3' ' ' ALA . 44.8 t -144.72 148.18 18.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -121.76 153.66 37.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.481 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 1.9 m-90 -123.92 164.62 18.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 108.034 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.415 ' O ' ' SD ' ' A' ' 7' ' ' MET . 92.7 t -135.84 134.81 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.377 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -74.24 130.57 39.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -119.33 -170.31 1.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.84 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -78.75 177.1 8.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.84 HD12 ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER 72.6 66.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.539 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -98.04 162.78 21.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 0.0 110.03 179.946 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.589 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.2 Cg_endo -74.94 161.25 95.19 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 121.044 -2.482 . . . . 0.0 111.025 -0.053 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -141.09 107.16 5.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.635 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.654 ' HB3' HD13 ' A' ' 61' ' ' LEU . 11.5 p-10 -112.47 162.84 15.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 0.0 109.354 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.467 ' CD1' ' CD1' ' A' ' 31' ' ' TRP . 63.3 mt -125.04 98.54 5.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.505 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -109.87 122.96 65.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.727 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 0.5 OUTLIER -97.12 101.1 12.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 110.975 -179.952 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.853 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -77.39 108.68 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.487 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -41.16 96.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 44' ' ' ALA . 54.6 t0 -119.31 74.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.58 -32.15 6.21 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.665 HG22 ' H ' ' A' ' 49' ' ' ASP . 3.9 p -89.64 179.53 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.547 0.793 . . . . 0.0 109.261 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.665 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -74.65 158.46 33.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -70.86 -70.08 0.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.105 . . . . 0.0 109.25 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.84 -34.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.531 HG22 ' HE2' ' A' ' 79' ' ' TYR . 9.2 m -69.0 -51.65 37.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.487 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -73.29 -9.62 58.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -74.18 -44.06 54.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.58 -53.98 5.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.851 HD11 ' O ' ' A' ' 72' ' ' THR . 0.1 OUTLIER -48.14 -30.03 4.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.8 p -74.86 156.92 35.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.069 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.494 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 73.1 m-70 -128.44 107.54 9.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.62 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.505 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -111.44 39.5 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -97.28 -29.72 7.77 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.436 1.085 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.654 HD13 ' HB3' ' A' ' 40' ' ' ASN . 3.3 mm? 67.92 114.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.498 ' HB2' ' HZ ' ' A' ' 69' ' ' PHE . . . -100.49 129.33 46.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.589 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 12.0 m-30 -123.22 -38.76 2.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.5 138.5 41.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.54 89.55 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.94 48.77 0.04 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.437 1.086 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.39 101.13 6.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 m -97.43 153.08 18.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.923 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.498 ' HZ ' ' HB2' ' A' ' 62' ' ' ALA . 21.5 m-30 -126.06 167.65 15.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.5 m -135.21 151.12 50.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.0 p -142.14 147.03 36.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.03 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.851 ' O ' HD11 ' A' ' 56' ' ' LEU . 48.8 m -98.91 120.34 39.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.402 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.853 ' CZ ' HG11 ' A' ' 95' ' ' VAL . 3.5 m-30 -107.52 57.98 0.62 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.581 HG23 HG22 ' A' ' 72' ' ' THR . 1.2 p -79.2 -66.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.443 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 0.6 OUTLIER -68.22 127.73 93.25 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.36 179.954 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 18.6 Cg_endo -74.96 107.79 2.56 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.493 1.786 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.69 -148.13 4.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.8 m -143.59 104.47 4.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 0.808 . . . . 0.0 110.358 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.667 ' CE2' HD13 ' A' ' 56' ' ' LEU . 44.9 m-85 -94.29 133.41 37.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 111.057 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 36.9 m -115.09 116.73 28.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.394 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.578 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 27.7 p90 -118.2 137.2 53.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.587 1.18 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.853 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -142.21 179.62 6.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 111.04 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 87' ' ' ARG . 0.8 OUTLIER -92.14 126.02 37.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 108.333 179.945 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.473 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 1.6 mt-10 -38.81 -52.95 3.58 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.02 -55.66 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -87.09 49.69 1.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.667 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.422 ' HG3' ' CD1' ' A' ' 82' ' ' TYR . 3.4 ttt180 -80.54 -53.58 6.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.86 33.78 5.44 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.447 1.092 . . . . 0.0 110.948 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -98.27 -28.23 13.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.583 0.813 . . . . 0.0 109.348 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 140.36 -25.07 2.63 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.564 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -83.99 99.39 10.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 0.778 . . . . 0.0 111.02 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.544 HG12 ' N ' ' A' ' 93' ' ' GLY . 87.1 t -145.74 168.39 7.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.544 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -136.99 162.59 25.28 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.42 130.6 42.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 0.783 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.853 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 69.0 t -115.31 142.17 29.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.403 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 22' ' ' THR . 7.5 t -134.87 142.14 41.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.832 HG22 ' CD2' ' A' ' 73' ' ' PHE . 77.3 t -128.6 141.71 45.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.629 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 5.1 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.497 ' O ' ' CG2' ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -75.37 119.28 19.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 0.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.738 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -100.32 165.64 11.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.303 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.8 m -145.23 135.76 24.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 110.406 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.856 HG22 ' HD2' ' A' ' 18' ' ' PRO . 86.7 t -136.23 146.09 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -102.94 156.07 17.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' VAL . 4.6 mtm -103.94 60.36 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.65 -137.68 7.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.5 p -151.97 137.19 17.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 110.011 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -76.86 65.25 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.96 -70.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.82 42.98 0.03 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.32 169.37 17.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.445 HD12 ' HG2' ' A' ' 91' ' ' MET . 1.9 pp -122.23 99.65 6.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 m -145.5 146.97 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.152 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -94.1 111.08 22.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.494 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -141.13 134.87 14.8 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.343 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.856 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.3 Cg_endo -74.98 133.05 29.65 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.05 -0.027 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.43 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 89.3 p -58.07 -36.89 73.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.0 m -117.92 125.04 49.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.652 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.4 m -138.09 131.05 40.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.6 t -129.25 126.7 39.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.433 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.669 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 1.2 pt -128.79 -178.27 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -73.97 176.73 6.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.237 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.796 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -94.72 125.93 39.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 106.41 -18.06 39.14 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -78.58 171.71 14.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 110.275 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.2 pm0 -117.3 175.59 5.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 110.267 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.819 HG21 ' CE2' ' A' ' 73' ' ' PHE . 24.1 t -139.1 145.14 27.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 109.239 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.66 152.72 24.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.4 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 5.8 m-90 -124.11 165.22 17.9 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 7' ' ' MET . 55.9 t -141.78 133.49 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -74.92 164.22 26.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -154.61 -168.34 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -82.72 -178.62 7.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.227 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.605 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 2.8 mm? 69.13 64.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.6 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -92.5 164.82 21.14 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.027 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.61 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.5 Cg_endo -74.98 162.37 92.98 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.072 -2.47 . . . . 0.0 111.031 0.017 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 1.5 m-70 -145.81 104.58 3.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.559 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.477 HD22 ' HB2' ' A' ' 84' ' ' GLU . 2.9 p30 -116.81 179.43 4.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.885 HD13 ' CE1' ' A' ' 58' ' ' HIS . 5.3 mt -129.5 102.12 7.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.934 HG13 ' HG2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -117.11 119.34 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.649 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -97.48 98.77 10.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 0.0 111.033 179.957 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.768 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -75.93 116.06 16.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.74 95.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.343 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.4 m-20 -120.9 73.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.67 -19.52 23.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.433 1.083 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.512 HG22 HG21 ' A' ' 52' ' ' THR . 0.4 OUTLIER -107.14 176.18 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.559 0.799 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.429 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -75.29 148.96 38.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.86 -38.88 87.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.36 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.35 -58.53 6.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.578 HG23 ' OH ' ' A' ' 79' ' ' TYR . 1.1 t -56.5 -21.77 28.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.81 -24.37 19.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.9 -47.1 86.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -44.69 34.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.785 HD13 ' OG ' ' A' ' 71' ' ' SER . 1.6 mm? -58.24 -26.45 62.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.3 p -84.38 130.51 34.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.069 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.885 ' CE1' HD13 ' A' ' 41' ' ' ILE . 6.8 p80 -133.66 100.36 4.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 109.591 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.934 ' HG2' HG13 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -71.65 -68.35 0.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.474 ' HA3' ' CZ ' ' A' ' 69' ' ' PHE . . . 35.31 91.52 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.516 1.135 . . . . 0.0 111.05 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.765 HD12 ' HZ ' ' A' ' 63' ' ' PHE . 4.4 mm? -64.09 92.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.756 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.446 ' O ' ' CD1' ' A' ' 63' ' ' PHE . . . -99.54 128.45 45.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.765 ' HZ ' HD12 ' A' ' 61' ' ' LEU . 12.9 m-85 -138.08 40.0 2.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.77 162.79 29.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.45 74.69 6.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 156.08 44.57 0.02 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.79 130.43 55.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.8 m -140.34 130.09 24.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.038 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.474 ' CZ ' ' HA3' ' A' ' 60' ' ' GLY . 15.4 m-85 -107.98 174.76 5.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 3.8 m -139.17 156.3 47.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.404 -179.938 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.785 ' OG ' HD13 ' A' ' 56' ' ' LEU . 17.6 t -141.47 152.36 44.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.947 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.776 ' O ' HD11 ' A' ' 56' ' ' LEU . 2.3 m -102.14 104.0 14.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.819 ' CE2' HG21 ' A' ' 29' ' ' VAL . 5.4 m-30 -94.0 60.78 2.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.554 HG23 ' CG2' ' A' ' 72' ' ' THR . 3.2 p -81.43 -70.27 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.432 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.97 125.15 68.83 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 100.96 1.41 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.452 1.764 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -149.02 -146.51 4.34 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.6 m -145.72 91.96 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 110.384 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.649 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 72.8 m-85 -82.5 141.32 32.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 43.7 m -124.14 112.9 17.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.385 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.67 ' OH ' HG11 ' A' ' 5' ' ' VAL . 29.8 p90 -115.89 126.66 54.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.768 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -126.47 179.89 5.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.63 146.04 27.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 108.309 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.532 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 1.8 mt-10 -69.3 -49.46 23.4 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.98 -43.23 0.41 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.582 1.833 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.422 ' CE1' ' HG2' ' A' ' 85' ' ' PRO . 1.4 m80 -96.65 37.14 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.627 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.8 114.85 7.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 69.92 19.25 75.14 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -81.89 -29.45 32.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 0.732 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 151.1 -48.92 0.55 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.445 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -76.01 103.04 5.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 111.015 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.517 HG22 ' N ' ' A' ' 93' ' ' GLY . 2.3 p -146.43 166.66 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.517 ' N ' HG22 ' A' ' 92' ' ' VAL . . . -131.21 157.08 22.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.553 1.158 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -137.9 107.98 6.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.59 0.818 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.484 HG11 ' CE2' ' A' ' 73' ' ' PHE . 25.3 t -80.56 153.92 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.7 t -143.57 100.51 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.172 . . . . 0.0 109.244 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.445 HG22 ' HB3' ' A' ' 73' ' ' PHE . 87.0 t -92.3 141.84 13.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.796 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 22.8 t70 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 74.8 m-80 -144.99 175.19 10.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.611 ' HB3' HG21 ' A' ' 23' ' ' ILE . . . -102.76 100.29 10.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.375 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.4 HG23 ' HB3' ' A' ' 30' ' ' LYS . 18.7 m -91.34 158.17 16.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.483 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.561 HG22 ' HD2' ' A' ' 18' ' ' PRO . 2.9 t -143.48 120.99 6.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.551 ' HE2' HG21 ' A' ' 32' ' ' VAL . 6.7 mttt -96.48 135.53 38.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.415 ' O ' ' C ' ' A' ' 8' ' ' GLY . 39.1 mtm -101.96 177.75 4.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 111.112 179.917 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 7' ' ' MET . . . 36.77 92.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 8' ' ' GLY . 87.2 p -38.27 144.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 110.056 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -73.78 58.77 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 t -147.04 -61.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.991 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.88 42.85 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.24 141.75 28.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.425 ' H ' HD23 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -90.61 98.47 11.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.7 m -147.39 142.21 19.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.225 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.607 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 96.6 m-85 -87.19 123.01 31.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HA ' ' N ' ' A' ' 19' ' ' SER . 2.7 tm-20 -145.25 128.4 8.37 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.508 1.13 . . . . 0.0 110.351 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.561 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.2 Cg_endo -75.05 129.88 19.83 Favored 'Cis proline' 0 C--N 1.361 1.225 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.022 0.028 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.447 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 1.7 p -55.9 -39.66 71.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.993 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.9 m -117.8 130.02 56.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.396 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.514 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -144.04 136.02 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.1 m -114.29 102.57 10.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.611 HG21 ' HB3' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -107.8 170.57 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.227 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.53 173.99 10.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.33 145.51 25.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.2 -15.97 46.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.28 -179.83 4.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.482 ' OE2' HG23 ' A' ' 70' ' ' THR . 2.9 pt-20 -118.72 171.01 8.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.153 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.747 HG21 ' CZ ' ' A' ' 73' ' ' PHE . 25.2 t -138.65 121.75 19.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.4 ' HB3' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -92.68 153.01 19.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.747 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 1.6 m-90 -128.19 116.71 20.32 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.551 HG21 ' HE2' ' A' ' 6' ' ' LYS . 75.8 t -90.03 124.54 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.515 ' ND2' ' HB1' ' A' ' 62' ' ' ALA . 48.7 t30 -78.82 150.29 32.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -144.73 -152.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.44 ' HB3' HD22 ' A' ' 36' ' ' LEU . 5.7 mmtm -74.75 -179.28 4.07 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.56 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.4 mm? 68.06 46.35 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 179.927 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.519 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -92.49 161.96 30.99 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.464 1.103 . . . . 0.0 109.996 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.519 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.93 158.26 99.09 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.022 -0.08 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -129.92 100.02 5.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.605 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -88.37 177.43 6.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.527 HD13 ' CD1' ' A' ' 31' ' ' TRP . 5.7 mt -145.15 99.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.245 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.479 HG13 ' HG2' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -115.61 120.83 65.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.61 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -92.56 99.93 12.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 111.03 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.959 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -75.74 114.17 14.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.426 ' HB2' ' HA ' ' A' ' 50' ' ' ALA . . . -46.78 95.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 44' ' ' ALA . 7.3 m-20 -118.67 81.23 1.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.66 -34.91 5.34 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.659 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -89.75 -179.83 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.472 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -74.94 147.95 40.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.426 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . . . -62.67 -69.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.632 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 48.6 m-20 -40.55 -38.16 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.759 HG22 ' HE2' ' A' ' 79' ' ' TYR . 3.1 m -62.53 -68.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.411 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -51.78 -22.25 3.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -64.06 -50.88 66.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.907 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -63.73 -35.95 82.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.489 HD11 ' O ' ' A' ' 72' ' ' THR . 6.4 mp -77.86 -19.65 54.44 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 -179.926 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 53' ' ' ALA . 4.2 m -74.84 126.16 30.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.026 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.566 ' CE1' ' O ' ' A' ' 70' ' ' THR . 89.6 m-70 -107.88 101.38 10.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.479 ' HG2' HG13 ' A' ' 42' ' ' VAL . 9.7 mttt -97.24 31.29 2.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -84.12 -148.79 9.22 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.827 HD13 ' H ' ' A' ' 62' ' ' ALA . 0.2 OUTLIER -143.3 164.97 28.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 0.792 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.827 ' H ' HD13 ' A' ' 61' ' ' LEU . . . -137.53 98.67 3.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.68 ' CD1' ' CD1' ' A' ' 61' ' ' LEU . 2.1 m-85 -132.08 33.32 3.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.092 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.9 139.9 27.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.43 88.13 6.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.82 -19.47 1.12 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.593 1.183 . . . . 0.0 111.033 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.44 156.27 35.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.771 . . . . 0.0 110.289 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 35.8 m -145.46 -179.64 6.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.419 1.074 . . . . 0.0 109.965 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.582 ' CD1' ' N ' ' A' ' 69' ' ' PHE . 0.2 OUTLIER -130.86 134.82 47.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.566 ' O ' ' CE1' ' A' ' 58' ' ' HIS . 2.3 m -112.29 145.67 39.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.447 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.6 p -132.1 159.86 37.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.075 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.489 ' O ' HD11 ' A' ' 56' ' ' LEU . 27.5 m -110.7 114.59 28.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.999 ' CZ ' HG11 ' A' ' 95' ' ' VAL . 6.1 m-30 -93.8 43.36 1.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 m -50.62 -67.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.373 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.19 128.18 63.42 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 147.84 34.3 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 171.38 -150.19 13.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.543 1.152 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 m -132.4 93.84 3.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 110.41 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.759 ' HE2' HG22 ' A' ' 52' ' ' THR . 87.3 m-85 -91.23 137.03 32.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.2 m -114.84 115.39 26.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.386 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.753 ' CE1' HG23 ' A' ' 95' ' ' VAL . 33.1 p90 -114.69 139.45 49.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.959 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -144.51 179.82 7.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 111.023 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 1.22 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 12.7 m -78.75 131.68 36.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.328 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.552 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -61.82 -48.85 88.28 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.28 -179.968 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.97 -43.63 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.793 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -93.29 42.22 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.6 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -83.65 50.03 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 155.68 56.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.108 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.44 -49.81 0.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 0.766 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 149.83 43.91 0.03 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' MET . . . . . 1.22 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.2 OUTLIER -145.42 99.65 3.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.737 . . . . 0.0 110.958 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.545 HG12 ' N ' ' A' ' 93' ' ' GLY . 58.1 t -146.9 168.94 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.545 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -135.43 172.75 22.02 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.16 116.21 8.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 0.812 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.999 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 77.4 t -104.03 138.83 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.3 t -130.87 112.98 23.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.792 HG22 ' CD2' ' A' ' 73' ' ' PHE . 99.3 t -90.21 143.42 11.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -75.6 174.11 10.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.736 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . -124.09 158.58 31.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.3 m -133.59 141.27 47.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.389 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.569 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 9.1 t -139.57 148.33 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 8' ' ' GLY . 12.4 mttt -128.33 121.98 30.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.42 61.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 111.044 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 6' ' ' LYS . . . 126.46 -164.35 20.06 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.14 162.71 20.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 0.767 . . . . 0.0 109.958 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -90.56 38.87 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.32 -74.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.08 . . . . 0.0 109.993 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.92 43.77 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.46 100.98 4.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.754 HD11 ' CE1' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -74.68 100.08 3.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 m -145.19 173.22 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.456 ' CE2' ' HE2' ' A' ' 91' ' ' MET . 1.9 m-85 -108.27 106.45 16.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.507 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -141.5 133.84 13.93 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.391 1.057 . . . . 0.0 110.298 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.846 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.06 134.4 35.74 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.958 -2.518 . . . . 0.0 110.995 0.043 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.407 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 1.7 t -61.72 -22.41 65.34 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.486 1.116 . . . . 0.0 110.069 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -140.19 118.98 12.45 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.846 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.1 m -118.15 149.72 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.9 m -136.1 126.72 27.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.736 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 1.1 pp -142.35 179.97 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.676 ' O ' HD12 ' A' ' 23' ' ' ILE . 22.7 mmtt -77.92 177.68 8.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.432 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -98.55 91.76 5.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.58 1.175 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.06 -18.23 2.14 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.482 1.113 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.516 ' HB3' HD13 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -75.04 171.32 14.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 0.734 . . . . 0.0 110.226 -179.943 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 29' ' ' VAL . 0.7 OUTLIER -118.82 142.16 47.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.327 179.975 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.658 HG21 ' CE2' ' A' ' 73' ' ' PHE . 80.5 t -109.1 144.3 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 13.9 ttpt -115.63 152.96 32.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.377 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.569 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 7.1 m-90 -120.57 169.55 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.9 t -135.32 126.39 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.253 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -74.34 152.49 39.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -136.07 -156.02 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -103.3 -179.17 3.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.353 179.947 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.453 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 1.2 mp 76.57 40.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.612 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -68.18 165.91 29.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.947 -179.98 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.612 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.98 160.09 97.06 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.968 -0.036 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.754 ' CE1' HD11 ' A' ' 14' ' ' LEU . 13.0 m-70 -145.83 122.99 11.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.62 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.464 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 4.9 p-10 -136.84 161.35 36.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.731 HG22 ' CE1' ' A' ' 43' ' ' PHE . 3.6 mt -116.86 98.75 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.922 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -101.63 130.6 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.731 ' CE1' HG22 ' A' ' 41' ' ' ILE . 2.2 m-85 -97.45 101.94 13.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.687 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -81.32 103.26 10.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' ALA . . . -39.72 97.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' ALA . 10.3 m-20 -125.45 77.02 1.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.4 -32.93 5.2 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.624 HG13 ' N ' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -92.67 -178.74 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.261 -179.951 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.624 ' N ' HG13 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -74.31 169.57 17.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.44 -70.54 0.44 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.62 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -47.2 -37.71 10.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.509 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 3.4 m -59.29 -60.46 3.83 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.481 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -63.82 -20.63 65.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -61.45 -54.35 44.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -65.38 -37.1 85.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.889 HD11 ' O ' ' A' ' 72' ' ' THR . 0.3 OUTLIER -77.96 -7.17 56.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.563 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -85.48 115.94 23.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.919 -179.914 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.732 ' CE1' ' CD1' ' A' ' 69' ' ' PHE . 4.3 m-70 -91.16 98.66 11.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.619 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -103.19 27.17 7.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.71 132.08 10.81 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 5.1 mp -82.01 134.17 35.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -131.59 111.85 12.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 7.5 m-85 -124.98 50.55 1.74 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 111.044 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.37 145.14 36.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.73 62.16 5.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.177 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.35 42.02 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.55 1.156 . . . . 0.0 111.037 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -115.85 128.53 55.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 0.0 110.335 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 75.0 m -130.93 129.78 42.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.075 . . . . 0.0 109.966 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.732 ' CD1' ' CE1' ' A' ' 58' ' ' HIS . 1.0 OUTLIER -97.73 167.94 10.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 111.032 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.429 ' O ' ' NE2' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -140.31 138.84 35.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 -179.969 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.54 ' HG ' ' HE1' ' A' ' 73' ' ' PHE . 1.5 t -138.35 127.95 24.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.889 ' O ' HD11 ' A' ' 56' ' ' LEU . 20.3 m -76.2 125.01 28.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.702 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.9 m-30 -104.13 44.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 m -64.32 -65.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.388 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.91 123.9 88.21 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.581 1.176 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 134.85 18.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.446 1.761 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 168.74 -163.54 37.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.533 1.145 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 88.6 m -115.03 116.08 27.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 0.721 . . . . 0.0 110.412 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.61 ' CE1' HG11 ' A' ' 48' ' ' VAL . 76.4 m-85 -107.51 96.55 6.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.4 m -80.81 111.88 17.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.367 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.537 ' CE1' HG23 ' A' ' 95' ' ' VAL . 31.6 p90 -118.53 136.59 53.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.687 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -141.54 -179.55 6.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.627 1.205 . . . . 0.0 110.973 179.967 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.52 155.51 21.17 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.514 1.133 . . . . 0.0 108.249 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.472 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 2.3 mt-10 -79.29 -55.81 0.87 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.1 . . . . 0.0 110.284 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.472 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.99 -25.81 11.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.55 1.816 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.571 ' CE1' ' CE1' ' A' ' 39' ' ' HIS . 8.3 m80 -110.67 27.45 9.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.614 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.427 ' HG3' ' CD1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -67.24 70.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 86' ' ' HIS . . . 121.82 38.59 0.61 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.103 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -110.52 29.28 7.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 0.789 . . . . 0.0 109.376 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 89.39 -14.14 61.89 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.584 ' HE1' HD21 ' A' ' 14' ' ' LEU . 9.5 ptm -107.32 120.54 42.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.543 HG12 ' N ' ' A' ' 93' ' ' GLY . 84.3 t -146.81 167.86 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.363 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.543 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -131.14 146.83 18.18 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.515 1.134 . . . . 0.0 111.045 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -138.76 98.58 3.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.537 HG23 ' CE1' ' A' ' 81' ' ' TYR . 2.3 t -79.25 154.57 4.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.23 -179.906 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.0 t -144.55 120.81 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.702 HG22 ' CD2' ' A' ' 73' ' ' PHE . 21.5 t -111.74 140.81 29.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.432 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 22.6 t0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -144.14 179.49 7.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 1.068 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -82.44 126.96 32.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.7 m -78.43 126.99 31.55 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.377 1.048 . . . . 0.0 110.457 179.925 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 31' ' ' TRP . 88.3 t -143.91 101.84 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 143.34 34.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -71.37 -55.82 7.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.15 -133.21 7.9 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.469 1.106 . . . . 0.0 111.031 179.933 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -150.57 150.11 30.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.743 . . . . 0.0 109.982 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.84 66.15 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.906 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.09 -74.06 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.49 41.26 0.02 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.522 ' N ' HD11 ' A' ' 36' ' ' LEU . . . -145.64 125.81 13.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.847 ' CD1' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -74.23 98.48 3.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.7 m -137.74 132.15 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.572 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 35.6 m-85 -80.88 116.08 20.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 1.09 . . . . 0.0 110.969 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 4.7 tt0 -145.15 131.1 9.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.706 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.02 131.82 25.51 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 121.043 -2.482 . . . . 0.0 111.015 0.025 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.438 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 66.5 p -52.13 -37.13 53.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -124.93 128.4 48.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.706 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -131.8 148.13 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.0 m -136.87 100.74 4.39 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.611 1.194 . . . . 0.0 110.372 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.926 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.1 pt -110.05 -179.66 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.472 ' O ' HD12 ' A' ' 23' ' ' ILE . 6.6 mmtt -75.68 174.76 9.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.662 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -95.27 120.04 34.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.85 -24.61 8.85 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.459 1.1 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.02 177.42 6.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.774 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.38 170.1 11.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.38 179.936 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.068 HG22 ' HB3' ' A' ' 3' ' ' ALA . 4.1 t -131.62 130.63 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 ttpp -97.17 158.25 15.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.496 ' O ' ' CB ' ' A' ' 68' ' ' SER . 4.4 m-90 -125.16 155.72 39.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 107.968 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.8 t -142.14 112.97 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -74.96 149.42 39.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -123.31 -77.42 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -145.26 -179.73 6.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.847 HD22 ' CD1' ' A' ' 14' ' ' LEU . 0.7 OUTLIER 65.03 65.57 0.59 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.581 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -95.89 164.14 19.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.0 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.581 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.97 164.21 88.93 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.955 -2.519 . . . . 0.0 110.984 -0.077 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -136.36 99.9 4.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.622 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.8 OUTLIER -110.11 165.99 11.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.244 -179.954 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.1 mp -120.55 101.47 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.162 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.469 ' CG1' ' HG2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -108.4 119.04 57.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.668 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 0.6 OUTLIER -98.01 107.56 20.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 111.003 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.898 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -86.36 114.22 22.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.496 ' HB2' ' HA ' ' A' ' 50' ' ' ALA . . . -41.35 96.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.7 OUTLIER -125.28 62.97 1.17 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 -179.962 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.18 -19.56 6.79 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.735 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -110.33 177.31 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.47 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -76.51 135.87 39.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.941 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.496 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . . . -55.25 -45.93 76.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.538 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -55.9 -58.35 8.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.944 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.488 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -55.89 -33.95 65.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.413 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -77.27 -21.45 53.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -64.45 -43.32 94.62 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -71.98 -37.98 69.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.092 . . . . 0.0 109.365 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.958 HD11 ' O ' ' A' ' 72' ' ' THR . 0.6 OUTLIER -75.02 -20.75 59.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.949 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -74.08 137.72 43.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 0.0 109.982 -179.949 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.774 ' CE1' ' CD1' ' A' ' 69' ' ' PHE . 3.2 m-70 -122.83 99.84 6.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.592 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 0.5 OUTLIER -102.19 48.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.54 ' C ' HD22 ' A' ' 61' ' ' LEU . . . -105.75 169.14 15.73 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.553 HD22 ' N ' ' A' ' 61' ' ' LEU . 1.4 mm? -105.19 120.91 42.7 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.545 0.791 . . . . 0.0 109.243 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -111.58 107.99 17.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 7.1 m-85 -121.88 -43.01 2.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.59 110.73 13.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.583 1.177 . . . . 0.0 109.284 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.97 98.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 163.22 -27.22 0.23 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -74.37 114.61 12.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 110.354 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 2.3 p -111.95 121.01 43.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.572 1.17 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.774 ' CD1' ' CE1' ' A' ' 58' ' ' HIS . 1.3 m-85 -82.37 177.0 8.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.0 m -145.21 155.54 43.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.354 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.469 ' OG ' HD23 ' A' ' 56' ' ' LEU . 15.9 t -139.21 139.75 37.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.011 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.958 ' O ' HD11 ' A' ' 56' ' ' LEU . 27.1 m -91.04 111.21 22.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.443 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.793 ' O ' HG11 ' A' ' 97' ' ' VAL . 4.3 m-30 -95.97 41.57 1.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -67.54 -63.44 1.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.26 119.42 45.83 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.362 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 107.1 2.41 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.535 1.808 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.37 -141.15 3.06 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 78' ' ' THR . 15.3 t -145.32 103.33 3.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 0.73 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.735 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 92.9 m-85 -96.86 137.54 35.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.4 m -116.54 116.06 26.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.592 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 28.0 p90 -118.45 137.03 53.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 111.063 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.898 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -135.71 178.67 6.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' ARG . 0.1 OUTLIER -77.96 127.7 32.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 108.26 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.536 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -61.75 -49.3 86.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.947 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.0 Cg_endo -75.07 -36.0 2.77 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.459 1.768 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -105.4 36.47 2.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.617 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' CYS . 3.9 ppt_? -68.8 -12.33 61.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 110.261 -179.912 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -140.49 54.87 0.64 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.4 -46.33 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 0.82 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 142.59 45.54 0.05 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.572 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 2.2 ttt -145.09 103.6 3.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.543 HG12 ' HB3' ' A' ' 82' ' ' TYR . 16.7 m -145.79 178.35 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -157.98 156.52 27.42 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.58 1.175 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -119.35 169.54 9.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.668 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 45.7 t -145.0 145.41 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.7 t -140.86 103.1 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.793 HG11 ' O ' ' A' ' 73' ' ' PHE . 59.3 t -92.77 141.17 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.662 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -78.24 157.33 29.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 1.081 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . -77.04 163.71 26.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.1 m -137.15 126.33 24.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.362 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.834 HG22 ' HD2' ' A' ' 18' ' ' PRO . 48.9 t -137.33 160.78 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.445 ' CG ' ' HB ' ' A' ' 32' ' ' VAL . 8.5 mttt -127.9 154.32 45.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.5 ptp -94.1 28.37 2.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . 175.96 -136.56 3.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.451 1.094 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.98 157.05 41.21 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.45 0.735 . . . . 0.0 109.973 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.56 70.72 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.68 -70.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.977 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.54 44.02 0.02 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.0 130.12 18.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 0.715 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.694 HD12 ' HG3' ' A' ' 91' ' ' MET . 1.4 pp -74.93 101.02 4.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.4 m -137.73 172.95 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.607 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 21.9 m-85 -123.72 111.06 15.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.537 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 19.7 tt0 -145.61 135.14 11.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 110.33 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.834 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.5 Cg_endo -74.95 136.91 47.38 Favored 'Cis proline' 0 C--N 1.359 1.097 0 C-N-CA 121.047 -2.48 . . . . 0.0 110.971 0.04 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.0 p -62.22 -25.1 67.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.03 127.91 33.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.365 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.709 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -135.02 137.67 50.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.935 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.8 m -128.11 112.33 14.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.416 1.072 . . . . 0.0 110.393 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 1.081 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 1.2 pp -117.16 -179.99 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.826 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.73 169.06 18.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.72 143.95 28.07 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.193 -179.927 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.02 9.18 86.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 0.0 110.954 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.446 ' HB3' HD13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -99.35 -179.65 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 110.333 179.959 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -127.59 148.61 50.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.822 HG22 ' HB3' ' A' ' 3' ' ' ALA . 39.8 t -117.18 149.57 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.9 141.27 52.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.404 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 5.7 m-90 -107.31 179.76 4.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 107.954 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 5' ' ' VAL . 4.9 t -137.34 156.7 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -91.11 155.44 18.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 8' ' ' GLY . 22.2 m120 -147.15 -179.42 6.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.175 . . . . 0.0 109.333 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.688 ' O ' HD12 ' A' ' 36' ' ' LEU . 2.9 mttm -81.19 179.57 7.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.688 HD12 ' O ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER 76.85 61.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.52 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -91.8 161.6 33.34 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 110.03 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.59 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.5 Cg_endo -74.91 159.57 97.78 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.037 -0.054 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.36 117.67 13.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.56 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -112.3 175.26 5.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.8 mt -145.37 107.3 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.699 HG23 ' HB3' ' A' ' 57' ' ' SER . 5.8 p -137.32 120.58 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.615 ' CE1' ' CB ' ' A' ' 81' ' ' TYR . 3.7 m-30 -84.86 158.16 20.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 1.014 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -120.11 141.08 50.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.73 82.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.499 ' O ' HG23 ' A' ' 78' ' ' THR . 1.0 OUTLIER -111.0 78.24 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.49 -26.52 19.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.677 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -95.79 -179.49 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.528 0.781 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.456 ' N ' HG13 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -76.77 150.23 36.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 109.27 -179.95 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.14 -70.33 0.23 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.68 -32.99 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.711 HG22 ' HE2' ' A' ' 79' ' ' TYR . 3.1 m -67.21 -77.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -41.07 -38.78 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.37 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.62 -70.58 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -37.5 72.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.869 HD22 ' CD2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -62.57 -19.39 63.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.699 ' HB3' HG23 ' A' ' 42' ' ' VAL . 4.2 m -88.07 125.41 34.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.026 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.455 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 82.1 m-70 -82.76 101.29 10.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.56 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -92.1 57.37 3.07 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -134.43 179.8 17.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.732 HD12 ' CZ ' ' A' ' 63' ' ' PHE . 3.2 mm? -121.72 130.66 53.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.396 0.703 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -124.89 107.87 11.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.732 ' CZ ' HD12 ' A' ' 61' ' ' LEU . 12.3 m-85 -125.09 51.4 1.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.606 1.191 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.18 140.26 29.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.68 59.84 3.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.073 . . . . 0.0 109.262 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 169.03 40.05 0.03 OUTLIER Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -117.84 133.7 55.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 110.34 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.0 m -137.04 131.99 33.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.455 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 1.3 m-85 -100.03 171.55 7.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.447 ' O ' ' CE1' ' A' ' 58' ' ' HIS . 1.2 p -135.55 136.81 41.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.408 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.5 t -123.51 146.11 48.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.933 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.622 ' O ' HD11 ' A' ' 56' ' ' LEU . 1.2 m -88.66 114.4 25.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.399 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.996 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.2 m-85 -104.3 62.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 111.045 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.48 -55.63 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.412 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -77.76 123.92 86.44 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.254 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 100.38 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.431 1.753 . . . . 0.0 111.035 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -152.41 -139.43 2.92 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 -179.878 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 46' ' ' ASP . 14.6 t -145.53 128.42 16.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 0.794 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.869 ' CD2' HD22 ' A' ' 56' ' ' LEU . 91.1 m-85 -120.59 102.9 8.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.1 p -74.04 100.62 3.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.412 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.896 ' CD1' HG23 ' A' ' 95' ' ' VAL . 50.8 p90 -95.24 131.33 41.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 1.014 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -145.15 -179.73 6.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.984 -179.939 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.03 119.09 23.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 108.35 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.658 ' HG3' HG11 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -44.62 -49.87 25.31 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 110.32 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.6 Cg_endo -74.97 -50.07 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.46 1.768 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -87.57 45.22 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.615 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.62 4.73 39.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -157.6 61.76 0.32 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -144.87 -54.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.77 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 159.58 42.08 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.694 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -145.92 99.71 3.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 0.722 . . . . 0.0 111.041 179.97 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.533 HG12 ' N ' ' A' ' 93' ' ' GLY . 73.0 t -145.86 167.27 8.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.417 1.073 . . . . 0.0 109.283 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.533 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -137.36 177.84 19.51 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.27 119.68 9.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 0.753 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.896 HG23 ' CD1' ' A' ' 81' ' ' TYR . 40.2 t -99.73 151.1 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.1 t -142.08 130.87 22.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.228 -179.948 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.996 HG22 ' CD2' ' A' ' 73' ' ' PHE . 54.6 t -116.94 142.29 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.6 t0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.954 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -96.96 179.29 4.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 1.043 ' HB2' HG21 ' A' ' 23' ' ' ILE . . . -75.17 148.26 39.73 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.577 1.173 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.9 m -130.24 129.88 43.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.345 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.653 HG22 ' HD2' ' A' ' 18' ' ' PRO . 81.4 t -132.83 156.36 42.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.77 126.29 43.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.41 ' CG ' ' HA ' ' A' ' 33' ' ' ASN . 9.9 ptp -77.68 53.3 1.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 9' ' ' SER . . . 135.65 134.91 3.39 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 8' ' ' GLY . 0.4 OUTLIER -41.42 162.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.769 . . . . 0.0 110.039 179.945 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -74.24 69.33 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.0 t 71.24 96.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.579 1.174 . . . . 0.0 109.971 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.11 -73.93 0.09 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.21 162.52 36.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.825 HD12 ' SD ' ' A' ' 91' ' ' MET . 0.5 OUTLIER -82.38 100.1 9.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.4 m -143.61 134.34 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.51 ' CE2' ' HG3' ' A' ' 91' ' ' MET . 29.4 m-85 -76.48 120.59 21.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.474 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.4 tp10 -143.05 131.06 11.17 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.865 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.5 Cg_endo -74.93 135.23 39.51 Favored 'Cis proline' 0 C--N 1.359 1.109 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.004 -0.068 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.9 p -53.16 -31.25 41.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.025 179.924 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.2 m -130.69 114.84 15.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.436 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.865 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -119.16 134.7 61.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.6 m -133.24 108.89 9.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 1.043 HG21 ' HB2' ' A' ' 3' ' ' ALA . 6.1 pt -114.38 -179.87 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -75.02 179.27 5.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.467 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -96.78 90.8 5.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.63 -16.73 2.23 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.714 ' HB3' HD12 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -76.34 175.67 8.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.296 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.891 ' OE2' HG23 ' A' ' 72' ' ' THR . 1.9 mp0 -116.59 178.01 4.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.878 HG22 ' HB3' ' A' ' 3' ' ' ALA . 22.3 t -138.06 109.38 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -90.63 123.99 34.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.362 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.573 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 1.4 m-90 -96.71 169.33 9.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 107.942 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 t -145.56 131.46 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.489 ' CG ' ' HB1' ' A' ' 62' ' ' ALA . 49.6 t30 -74.72 140.2 43.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 179.946 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.09 -158.98 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.639 ' C ' HD22 ' A' ' 36' ' ' LEU . 1.2 mmpt? -76.69 -179.54 5.4 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.639 HD22 ' C ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER 72.14 23.23 3.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.578 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -76.94 164.57 58.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.088 179.966 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.578 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.03 160.64 96.23 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 120.98 -2.509 . . . . 0.0 111.041 0.047 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.403 ' CB ' ' SD ' ' A' ' 7' ' ' MET . 3.1 m-70 -131.73 156.1 46.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 0.0 109.637 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.496 ' OD1' HD23 ' A' ' 61' ' ' LEU . 3.5 m-20 -135.85 169.7 17.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.389 1.056 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.8 mt -141.91 99.31 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -112.91 130.57 66.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.873 ' CD2' HD23 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -104.13 100.81 10.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.98 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.963 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -77.19 129.74 36.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.426 ' HB2' ' HA ' ' A' ' 50' ' ' ALA . . . -51.87 91.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 44' ' ' ALA . 3.8 m-20 -121.04 85.1 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.91 -20.01 52.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.96 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -111.56 -178.79 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.503 0.767 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.547 ' H ' HG22 ' A' ' 48' ' ' VAL . 24.8 m-20 -74.14 166.87 22.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.426 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . . . -77.04 -57.93 3.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.83 -62.75 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.495 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 20.6 m -45.76 -52.16 11.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.381 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.593 ' O ' HD22 ' A' ' 56' ' ' LEU . . . -53.33 -41.51 65.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.421 ' HA ' ' OG ' ' A' ' 57' ' ' SER . . . -78.07 0.47 24.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.496 ' HB3' HD13 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -82.11 -50.26 9.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.873 HD23 ' CD2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -90.01 -1.85 58.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.39 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.453 ' HB3' ' O ' ' A' ' 53' ' ' ALA . 37.4 p -72.24 166.13 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.96 -179.943 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.577 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 92.1 m-70 -145.3 99.65 3.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.623 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -97.43 47.44 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.418 ' O ' ' ND2' ' A' ' 40' ' ' ASN . . . -106.72 -142.05 10.52 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.632 HD22 ' HE1' ' A' ' 63' ' ' PHE . 10.7 mt -149.28 168.96 21.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 0.716 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.489 ' HB1' ' CG ' ' A' ' 33' ' ' ASN . . . -142.93 102.8 4.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.632 ' HE1' HD22 ' A' ' 61' ' ' LEU . 6.1 m-85 -118.34 -48.47 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.1 132.73 36.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.16 89.53 4.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.03 -28.44 0.2 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.569 1.168 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -74.69 133.14 42.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 0.795 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.9 172.42 12.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.577 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 22.4 m-30 -123.82 165.71 16.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 110.95 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.533 ' O ' ' CE1' ' A' ' 58' ' ' HIS . 12.0 m -136.8 151.35 49.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.398 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.526 ' OG ' ' CZ3' ' A' ' 31' ' ' TRP . 2.5 p -143.9 155.88 44.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.405 1.066 . . . . 0.0 109.954 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.891 HG23 ' OE2' ' A' ' 28' ' ' GLU . 25.2 m -114.92 115.99 27.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 110.416 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.825 ' CE2' HG21 ' A' ' 29' ' ' VAL . 6.9 m-30 -99.02 66.83 1.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.498 HG22 ' N ' ' A' ' 75' ' ' GLU . 0.4 OUTLIER -86.68 -53.49 4.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.469 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.498 ' N ' HG22 ' A' ' 74' ' ' THR . 1.2 tp10 -65.75 119.6 61.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 101.23 1.45 Allowed 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.546 1.814 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.69 -145.11 4.07 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.8 m -141.24 110.66 6.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 0.772 . . . . 0.0 110.426 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.96 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 90.5 m-85 -109.22 138.17 45.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 m -121.41 110.43 16.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.177 . . . . 0.0 110.39 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.691 ' CE1' HG23 ' A' ' 95' ' ' VAL . 41.5 p90 -107.29 130.52 54.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.963 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -131.67 -179.55 5.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 179.961 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.41 ' O ' ' CA ' ' A' ' 87' ' ' ARG . 1.3 t -81.42 135.68 35.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 108.324 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.465 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -62.07 -55.42 41.03 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 110.29 -179.949 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.465 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -75.0 -41.4 0.66 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.484 1.781 . . . . 0.0 111.028 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -96.26 37.4 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.585 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.41 ' CA ' ' O ' ' A' ' 83' ' ' CYS . 7.7 tmm_? -68.61 102.06 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.05 21.57 56.95 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.495 1.122 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.36 -23.03 50.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 148.5 -29.14 1.32 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.595 1.185 . . . . 0.0 110.994 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.825 ' SD ' HD12 ' A' ' 14' ' ' LEU . 14.8 ptm -103.38 122.25 44.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.78 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 93' ' ' GLY . 54.6 t -145.97 165.87 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.5 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -123.99 150.8 17.02 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 tttp -134.32 103.38 5.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 109.255 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.691 HG23 ' CE1' ' A' ' 81' ' ' TYR . 3.0 t -90.93 147.34 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.353 179.917 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.1 t -144.58 116.34 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.429 ' CG1' ' HA ' ' A' ' 25' ' ' ALA . 37.4 t -98.2 144.34 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.467 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -138.69 176.37 8.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 1.016 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -79.19 118.26 20.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 27.4 m -84.4 128.31 34.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.436 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.714 ' CG2' HG11 ' A' ' 21' ' ' VAL . 79.8 t -139.9 100.27 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.0 143.91 45.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.842 ' SD ' HD11 ' A' ' 41' ' ' ILE . 1.4 mpp? -80.42 -63.13 1.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.432 ' HA3' ' CB ' ' A' ' 34' ' ' ASN . . . -88.75 -152.92 26.18 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.424 1.077 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.663 ' HB3' HG22 ' A' ' 15' ' ' VAL . 31.1 p -121.73 158.81 27.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.978 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -88.08 66.94 8.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.0 t -176.39 -69.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.3 44.44 0.04 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.438 1.086 . . . . 0.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -143.03 129.73 20.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 0.744 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.707 HD23 HD13 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -83.71 100.69 11.04 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.663 HG22 ' HB3' ' A' ' 9' ' ' SER . 17.1 m -145.27 131.47 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.221 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.497 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 41.9 m-85 -82.07 116.76 21.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.946 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.8 tt0 -142.75 130.18 11.08 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.675 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.94 132.62 28.15 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.032 -0.096 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.423 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 99.8 p -54.7 -36.47 64.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.005 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.1 m -123.28 121.8 36.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.423 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.714 HG11 ' CG2' ' A' ' 5' ' ' VAL . 1.0 OUTLIER -124.74 144.83 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 m -132.96 100.42 4.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.886 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.1 pt -111.86 -179.7 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.928 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.562 ' O ' HD12 ' A' ' 23' ' ' ILE . 42.7 mmtt -80.54 176.26 9.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.73 134.14 35.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.21 -20.9 45.34 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.97 179.67 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 110.263 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -121.64 178.48 4.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.583 1.177 . . . . 0.0 110.342 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.016 HG22 ' HB3' ' A' ' 3' ' ' ALA . 3.0 t -143.65 116.5 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 109.36 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -82.13 161.03 22.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.606 ' CD1' ' O ' ' A' ' 5' ' ' VAL . 2.4 m-90 -127.49 175.12 8.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 107.964 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.2 t -136.22 131.69 49.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 64' ' ' ALA . 0.5 OUTLIER -75.96 128.04 34.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.432 ' CB ' ' HA3' ' A' ' 8' ' ' GLY . 10.9 m120 -120.42 176.97 5.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.4 OUTLIER -81.53 174.71 11.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 -179.937 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.707 HD13 HD23 ' A' ' 14' ' ' LEU . 9.3 mt 80.02 70.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.109 . . . . 0.0 109.371 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.523 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -85.43 161.99 49.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 -179.935 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.588 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.3 Cg_endo -74.96 159.77 97.52 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.046 -2.481 . . . . 0.0 110.999 -0.06 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.443 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 0.7 OUTLIER -139.44 108.78 6.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.543 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.42 ' ND2' ' HB2' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -135.67 177.06 8.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.933 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.842 HD11 ' SD ' ' A' ' 7' ' ' MET . 3.8 mp -122.86 102.58 11.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.26 107.83 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.717 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -87.66 109.46 19.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.087 179.927 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.758 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -86.26 112.11 21.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.173 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.11 96.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 1.128 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 44' ' ' ALA . 14.4 p-10 -119.7 73.34 0.96 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.28 -32.01 6.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.018 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -88.8 -179.33 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.77 . . . . 0.0 109.347 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.51 ' O ' HG13 ' A' ' 48' ' ' VAL . 36.1 t70 -74.22 170.14 16.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.11 -64.39 1.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.338 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.786 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -46.73 -44.8 19.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 179.975 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.496 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 87.3 m -56.72 -56.85 16.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.38 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.28 -22.79 63.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.786 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -58.19 -70.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -57.77 -38.62 75.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.258 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.866 HD22 ' CD1' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -54.3 -36.76 64.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.949 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 77.0 p -79.89 132.1 36.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.997 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.753 ' CE1' HD13 ' A' ' 41' ' ' ILE . 7.3 p80 -133.23 99.61 4.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.604 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.75 -82.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 109.327 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.55 -51.11 3.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.449 HD12 ' HZ ' ' A' ' 63' ' ' PHE . 4.1 mm? 68.12 53.51 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.11 135.52 33.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.588 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 7.9 m-85 -126.15 32.47 5.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.446 ' O ' ' ND2' ' A' ' 33' ' ' ASN . . . -120.24 -179.14 3.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -119.71 93.39 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.35 -32.28 0.54 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -74.58 117.91 16.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 0.724 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.7 m -115.47 158.44 22.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.968 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.412 ' HB3' ' ND1' ' A' ' 58' ' ' HIS . 26.3 m-85 -118.74 174.6 6.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.7 m -144.14 155.45 43.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.9 t -136.83 141.48 42.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.5 m -87.81 99.65 12.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.396 1.06 . . . . 0.0 110.324 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.599 ' CB ' HD11 ' A' ' 23' ' ' ILE . 4.5 m-30 -86.78 55.27 3.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.4 m -74.99 -70.24 0.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 110.379 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.43 124.7 83.71 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 113.84 3.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.517 1.798 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -164.92 -158.95 10.78 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.3 m -128.33 94.61 3.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 0.775 . . . . 0.0 110.345 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 1.018 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 98.4 m-85 -89.52 137.42 32.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.3 m -115.99 115.02 25.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.478 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.581 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 30.1 p90 -115.75 124.94 52.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.935 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.758 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -122.99 -178.93 4.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 111.029 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.13 125.02 31.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.419 1.074 . . . . 0.0 108.267 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.518 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.7 OUTLIER -42.94 -50.37 13.58 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.296 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -74.97 -56.32 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.561 ' ND1' HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -80.05 58.02 2.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.595 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.4 70.42 1.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.74 41.79 0.24 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 111.041 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -118.37 -78.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -178.11 34.93 0.08 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.57 1.169 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.497 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -145.46 98.66 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 110.962 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.699 HG13 ' HB3' ' A' ' 82' ' ' TYR . 7.1 t -146.33 168.01 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.438 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -137.87 139.59 10.52 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.408 1.067 . . . . 0.0 111.073 179.944 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.36 147.84 28.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 0.778 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.717 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 51.5 t -121.55 147.69 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.6 t -143.44 104.4 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.415 HG22 ' CD2' ' A' ' 73' ' ' PHE . 59.5 t -99.98 143.26 14.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.334 -180.0 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.401 ' O ' ' OE2' ' A' ' 27' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -145.7 177.35 8.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 1.043 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -89.68 101.97 14.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.0 m -79.34 128.11 32.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.388 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.413 ' CG2' HG11 ' A' ' 21' ' ' VAL . 76.2 t -144.33 118.54 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 137.4 32.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.649 ' HE2' HD11 ' A' ' 41' ' ' ILE . 1.9 ttm -103.51 74.44 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.404 ' O ' ' CG ' ' A' ' 34' ' ' ASN . . . 119.99 104.09 2.02 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.477 1.111 . . . . 0.0 111.075 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.1 p -41.12 150.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.982 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.88 58.94 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.27 -67.74 0.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.13 53.55 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.29 114.16 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.862 ' HB3' HD22 ' A' ' 36' ' ' LEU . 1.1 pt? -74.74 100.44 4.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -145.6 177.55 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 91' ' ' MET . 63.8 m-85 -122.5 103.5 8.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 -179.947 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 1.6 tp10 -137.33 123.78 13.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.535 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.98 143.5 78.0 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.006 -2.498 . . . . 0.0 111.022 -0.058 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 p -74.53 -25.32 59.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 110.029 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.8 m -131.45 124.63 30.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.551 HG21 ' HB1' ' A' ' 3' ' ' ALA . 1.0 OUTLIER -136.96 156.89 35.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.949 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 53.1 m -121.02 104.86 10.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.396 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.569 HD13 HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -108.72 146.36 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.364 179.944 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.522 ' O ' ' CD1' ' A' ' 23' ' ' ILE . 1.0 OUTLIER -73.22 166.61 22.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.966 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.62 149.04 38.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.69 -28.44 6.44 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.401 ' OE2' ' O ' ' A' ' 1' ' ' ALA . 0.3 OUTLIER -75.41 174.59 9.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 110.275 -179.99 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -127.4 -179.93 5.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.043 HG22 ' HB3' ' A' ' 3' ' ' ALA . 4.0 t -127.58 161.76 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.464 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 6.4 ttmt -134.73 141.07 46.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.595 ' CG ' HD13 ' A' ' 41' ' ' ILE . 2.1 m-90 -117.78 127.29 53.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.02 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.2 t -110.23 108.74 26.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -75.49 146.56 40.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.373 1.046 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 8' ' ' GLY . 9.9 m120 -123.01 -71.4 0.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -145.12 179.93 7.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.862 HD22 ' HB3' ' A' ' 14' ' ' LEU . 3.1 mp 70.24 57.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.363 -179.948 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.512 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -97.94 161.65 24.9 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 -179.935 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.512 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.95 160.24 96.82 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.093 -2.461 . . . . 0.0 111.003 -0.048 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.464 ' HB3' ' CE ' ' A' ' 7' ' ' MET . 0.2 OUTLIER -134.59 107.48 7.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.609 179.969 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.44 164.72 11.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.649 HD11 ' HE2' ' A' ' 7' ' ' MET . 5.7 mt -128.01 104.85 12.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.88 122.77 61.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.63 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -99.51 99.91 10.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.93 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -74.47 108.69 7.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.558 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -50.31 98.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.1 80.93 1.87 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.99 -27.77 9.36 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.0 HG11 ' CE1' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -97.02 -179.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.485 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -74.07 156.95 36.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.977 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -71.12 -66.66 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.43 -32.9 5.49 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.69 ' O ' HD12 ' A' ' 56' ' ' LEU . 53.6 m -66.99 -43.37 83.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.396 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.558 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -87.54 -4.55 58.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -73.01 -48.54 35.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -79.55 -40.59 29.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.831 HD21 ' CD1' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -59.81 -28.46 67.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.1 p -80.08 161.58 25.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.597 1.185 . . . . 0.0 110.003 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -135.49 99.86 4.34 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.51 1.131 . . . . 0.0 109.618 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -100.93 57.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.853 ' C ' HD22 ' A' ' 61' ' ' LEU . . . -133.86 -168.73 11.89 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.554 1.159 . . . . 0.0 111.047 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.853 HD22 ' C ' ' A' ' 60' ' ' GLY . 2.3 mm? -127.82 156.66 42.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 0.785 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.49 129.58 18.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.486 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 15.2 m-85 -133.39 43.12 2.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.68 106.91 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.24 86.31 1.09 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.79 -32.81 0.13 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.558 1.161 . . . . 0.0 111.074 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -76.21 156.33 33.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 3.3 p -144.16 128.26 17.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.972 -179.952 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -75.07 171.66 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.3 m -141.29 147.66 38.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.81 ' HB2' HD23 ' A' ' 56' ' ' LEU . 90.7 p -145.04 127.04 15.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.676 ' O ' HD11 ' A' ' 56' ' ' LEU . 99.0 m -101.87 136.51 41.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.831 ' CD1' HD21 ' A' ' 56' ' ' LEU . 3.6 m-85 -109.21 80.44 1.32 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.174 . . . . 0.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.7 p -60.71 -54.39 45.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.412 -179.947 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -88.72 126.73 58.77 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.266 179.939 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.16 104.67 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.33 -142.43 3.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.4 m -134.9 102.29 5.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 1.0 ' CE1' HG11 ' A' ' 48' ' ' VAL . 98.2 m-85 -97.25 140.16 32.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 111.084 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 p -121.73 111.91 17.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.399 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.623 ' HE1' HG23 ' A' ' 95' ' ' VAL . 39.6 p90 -110.18 142.11 42.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.93 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -144.98 173.17 12.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 -179.969 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 1.108 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 57.3 m -79.62 129.16 34.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 108.316 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.489 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -54.68 -52.33 71.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.341 179.964 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.09 -47.34 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.785 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.01 46.11 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.622 179.949 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.478 ' CA ' ' O ' ' A' ' 83' ' ' CYS . 10.9 ttt180 -66.68 -46.65 74.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.38 39.38 2.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -92.3 -78.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -176.45 33.57 0.08 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.467 1.105 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 91' ' ' MET . . . . . 1.108 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER -145.66 117.2 8.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 111.046 179.994 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.47 HG12 ' N ' ' A' ' 93' ' ' GLY . 25.0 t -145.67 166.15 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.226 -179.941 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.52 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -143.87 151.65 23.54 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.21 110.07 8.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.623 HG23 ' HE1' ' A' ' 81' ' ' TYR . 55.6 t -98.91 141.57 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.9 t -125.25 134.62 66.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.72 HG21 ' CD2' ' A' ' 73' ' ' PHE . 97.5 t -128.48 147.88 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.963 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -75.89 173.14 11.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.549 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -98.69 149.49 22.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.352 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.9 m -144.15 129.34 18.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.422 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.88 HG22 ' HD2' ' A' ' 18' ' ' PRO . 64.3 t -135.19 126.43 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.632 1.207 . . . . 0.0 109.244 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -97.72 145.01 26.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.497 ' CG ' ' O ' ' A' ' 7' ' ' MET . 0.6 OUTLIER -109.69 101.04 9.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.935 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.509 ' HA3' HD12 ' A' ' 36' ' ' LEU . . . 108.77 93.8 2.3 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.5 p -49.26 143.29 6.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 0.781 . . . . 0.0 110.015 -179.94 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -77.02 58.84 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.4 t -148.06 -60.66 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.026 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.3 43.48 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.97 117.24 8.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 0.799 . . . . 0.0 109.314 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.835 ' HA ' HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -80.91 100.4 8.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.0 m -144.39 172.22 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.511 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 28.5 m-85 -115.43 105.67 13.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 9.5 mt-10 -133.77 133.4 22.3 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.88 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.3 Cg_endo -74.98 132.47 27.66 Favored 'Cis proline' 0 C--N 1.359 1.121 0 C-N-CA 121.089 -2.463 . . . . 0.0 110.958 -0.031 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.435 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 88.0 p -52.41 -36.64 54.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 110.027 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -127.83 138.74 52.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.671 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.1 m -141.67 156.89 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.0 m -124.23 101.58 7.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.117 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.633 HD13 HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -110.25 146.41 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.594 1.184 . . . . 0.0 109.406 179.914 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.498 ' O ' ' CD1' ' A' ' 23' ' ' ILE . 16.5 mttt -73.83 168.7 18.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.383 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.87 145.74 36.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.17 -17.0 40.11 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.536 1.147 . . . . 0.0 110.975 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.49 177.44 8.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -128.34 168.83 14.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.568 ' HB ' ' CZ3' ' A' ' 31' ' ' TRP . 36.1 t -132.88 136.68 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.96 145.7 30.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CZ3' ' HB ' ' A' ' 29' ' ' VAL . 8.4 m-90 -124.86 121.7 35.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.04 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.7 t -106.57 129.35 60.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -97.27 153.38 18.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.591 1.182 . . . . 0.0 109.26 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -135.18 -85.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.85 178.67 6.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.835 HD13 ' HA ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER 79.74 30.53 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 179.969 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.52 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -70.2 161.83 73.35 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 179.976 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.52 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.98 162.44 92.84 Favored 'Cis proline' 0 C--N 1.361 1.206 0 C-N-CA 121.035 -2.485 . . . . 0.0 110.99 -0.003 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.467 ' CG ' ' HG3' ' A' ' 7' ' ' MET . 0.6 OUTLIER -139.6 103.12 4.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.649 179.927 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -119.23 141.83 48.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 58' ' ' HIS . 13.0 mm -93.25 98.27 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.788 HG13 ' HG3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -101.9 101.17 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.63 ' CE2' ' CB ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -65.68 125.21 24.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 -179.969 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -104.75 100.0 9.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.18 98.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -122.48 60.49 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.5 -17.24 8.39 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.575 1.172 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.1 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -102.32 178.88 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.28 -179.939 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.472 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -83.84 139.15 32.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.947 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -56.51 -52.09 66.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.461 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 4.4 m-20 -46.06 -54.91 7.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.915 ' O ' HD12 ' A' ' 56' ' ' LEU . 34.4 m -55.9 -35.24 66.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 179.969 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.437 ' HB1' ' HB3' ' A' ' 43' ' ' PHE . . . -76.31 -24.41 54.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.578 1.174 . . . . 0.0 109.287 -179.925 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -67.2 -28.01 67.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.78 -38.32 19.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.915 HD12 ' O ' ' A' ' 52' ' ' THR . 1.9 mp -84.97 0.44 51.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.244 -179.912 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.2 m -82.02 153.54 26.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.026 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.59 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 86.8 m-70 -144.84 101.91 3.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.563 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.788 ' HG3' HG13 ' A' ' 42' ' ' VAL . 1.7 mtmp? -132.89 30.37 4.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -88.32 15.75 55.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.14 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.691 ' CD1' ' CE2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER 75.93 161.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 0.751 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.586 ' O ' ' CD1' ' A' ' 63' ' ' PHE . . . -145.0 106.23 4.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.691 ' CE2' ' CD1' ' A' ' 61' ' ' LEU . 10.3 m-85 -158.16 44.62 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.606 ' HB3' ' OE2' ' A' ' 67' ' ' GLU . . . -144.55 100.25 3.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.86 117.8 3.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.0 24.59 6.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.606 ' OE2' ' HB3' ' A' ' 64' ' ' ALA . 4.2 mt-10 -112.78 123.18 49.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 110.321 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 6.7 p -126.66 121.54 32.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.59 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 17.6 m-85 -78.96 171.18 15.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.9 m -143.72 147.1 33.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.468 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.728 ' OG ' HD23 ' A' ' 56' ' ' LEU . 9.5 p -143.45 145.65 32.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 110.026 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.777 ' O ' HD11 ' A' ' 56' ' ' LEU . 21.9 m -117.18 135.66 53.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.421 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.799 ' CD2' HG21 ' A' ' 97' ' ' VAL . 3.6 m-85 -104.69 82.14 1.86 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.7 p -52.81 -70.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.592 1.182 . . . . 0.0 110.467 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 0.6 OUTLIER -86.39 142.92 35.77 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 18.2 Cg_endo -75.01 120.31 6.01 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.472 1.775 . . . . 0.0 111.04 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -164.84 -138.8 2.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.724 HG21 ' HE3' ' A' ' 94' ' ' LYS . 20.2 m -143.49 119.91 10.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 0.8 . . . . 0.0 110.411 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 1.1 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 96.9 m-85 -113.29 106.86 15.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.402 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 54.1 m -88.28 110.41 20.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.362 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.597 ' OH ' HG11 ' A' ' 5' ' ' VAL . 39.1 p90 -113.73 131.31 56.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.552 1.158 . . . . 0.0 110.985 179.952 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -130.79 169.23 15.99 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.748 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 20.4 m -77.54 129.57 35.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 108.274 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 3.0 tt0 -63.16 -51.57 68.66 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -75.0 -12.66 21.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.588 1.836 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.83 52.83 1.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.597 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.528 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -67.14 -56.95 7.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.225 -179.96 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.21 48.91 1.25 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.11 45.2 2.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.465 0.744 . . . . 0.0 109.35 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 50.17 39.35 34.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.748 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER -134.69 99.3 4.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.526 0.78 . . . . 0.0 110.962 179.95 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.523 HG12 ' H ' ' A' ' 93' ' ' GLY . 18.5 t -145.9 171.24 4.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.523 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -151.89 138.16 6.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.724 ' HE3' HG21 ' A' ' 78' ' ' THR . 4.4 tttt -126.41 115.86 20.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 0.78 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.01 133.14 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.246 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.6 t -110.92 133.0 57.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.799 HG21 ' CD2' ' A' ' 73' ' ' PHE . 82.7 t -129.23 140.97 47.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.924 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.266 -179.944 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -145.55 135.08 23.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.355 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 1.06 ' HB2' HG21 ' A' ' 23' ' ' ILE . . . -87.28 132.39 33.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 49.7 m -136.36 118.46 15.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.434 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.8 t -125.79 150.12 30.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -140.44 123.48 16.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.7 ptp -84.06 145.72 28.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.962 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' SER . . . 68.32 92.18 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.142 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' GLY . 2.4 m -38.6 149.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -74.08 59.18 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -148.96 -70.46 0.21 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.482 1.114 . . . . 0.0 110.062 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.55 43.05 0.03 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.1 . . . . 0.0 111.067 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.22 150.36 36.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.48 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -97.58 102.26 13.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -143.47 156.75 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.4 1.062 . . . . 0.0 109.316 179.946 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -100.97 111.06 23.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -140.45 123.89 10.31 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.275 179.948 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.69 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.5 Cg_endo -74.99 135.7 41.74 Favored 'Cis proline' 0 C--N 1.361 1.222 0 C-N-CA 121.032 -2.487 . . . . 0.0 111.027 0.028 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.0 p -57.63 -33.27 68.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.015 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.5 m -133.65 131.09 39.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 0.0 110.425 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.69 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -127.59 137.65 57.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.6 m -122.34 101.22 7.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.428 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 1.06 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.1 pp -108.16 -179.02 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.545 1.153 . . . . 0.0 109.36 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.565 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -78.01 179.4 6.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.706 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -98.18 89.0 4.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.62 -14.6 2.23 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.478 ' HB3' HD13 ' A' ' 23' ' ' ILE . 1.6 tp10 -74.71 -179.67 4.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -122.87 173.9 7.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.26 -179.972 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.89 HG22 ' HB3' ' A' ' 3' ' ' ALA . 77.7 t -134.91 159.95 41.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -135.28 147.78 49.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.475 ' CD1' HD13 ' A' ' 41' ' ' ILE . 6.4 m-90 -128.16 143.33 51.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 108.01 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.5 t -132.82 140.24 47.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.17 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -94.9 148.5 22.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -133.75 -88.87 0.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.55 ' HB3' HD22 ' A' ' 36' ' ' LEU . 2.3 mmtt -119.38 -179.7 3.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.582 HD22 ' N ' ' A' ' 36' ' ' LEU . 1.7 mm? 60.9 71.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.238 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.587 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -126.17 164.95 30.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 110.008 179.966 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.587 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -74.99 153.46 99.18 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.981 -0.032 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.43 ' ND1' ' O ' ' A' ' 36' ' ' LEU . 1.5 m80 -142.26 125.15 16.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.582 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -103.12 173.68 6.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.173 . . . . 0.0 109.288 179.963 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.475 HD13 ' CD1' ' A' ' 31' ' ' TRP . 81.2 mt -132.97 102.06 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.357 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.475 ' CG1' ' HG2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -104.46 161.59 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.936 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -138.92 97.63 3.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 -179.986 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -77.29 114.29 15.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.16 96.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 44' ' ' ALA . 7.3 p-10 -109.91 66.86 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.82 -26.04 9.15 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.467 1.104 . . . . 0.0 111.075 -179.958 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.037 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -90.42 -179.51 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.524 ' H ' HG22 ' A' ' 48' ' ' VAL . 3.6 m-20 -74.78 170.69 15.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -84.17 -64.78 1.1 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.238 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.62 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 2.0 m-20 -46.17 -39.69 10.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.503 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 19.4 m -60.83 -55.4 33.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.47 -2.8 30.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.94 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -73.33 -48.41 34.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -85.14 -37.43 20.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -32.02 69.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.8 p -79.04 155.83 28.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.0 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -128.08 100.04 5.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.619 -179.968 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -93.8 29.76 1.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -180.0 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.29 -171.89 43.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.615 HD12 ' CE1' ' A' ' 63' ' ' PHE . 0.7 OUTLIER -126.89 146.46 50.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.55 116.67 29.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.615 ' CE1' HD12 ' A' ' 61' ' ' LEU . 17.8 m-30 -124.24 -47.69 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.23 128.97 34.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.35 67.22 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 169.75 41.86 0.03 OUTLIER Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.428 1.08 . . . . 0.0 111.028 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -122.22 101.34 7.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 0.729 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.0 p -104.29 145.09 30.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.933 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -104.31 172.32 6.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.4 m -144.29 148.92 35.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 110.413 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.4 p -143.32 164.63 29.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.983 -179.966 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.4 m -120.97 113.07 19.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.771 ' CB ' HD11 ' A' ' 23' ' ' ILE . 5.4 m-30 -92.99 68.8 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.8 m -84.59 -60.56 2.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 110.478 179.904 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.5 123.6 88.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 110.77 3.18 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.456 1.767 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.6 -146.52 4.43 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.142 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.5 m -145.14 87.53 1.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 0.754 . . . . 0.0 110.482 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 1.037 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 94.9 m-85 -81.37 143.34 32.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.936 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.0 m -126.52 115.45 19.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.419 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.583 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 28.6 p90 -116.83 135.43 53.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 111.049 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.426 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -142.78 -179.43 6.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 111.026 179.956 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 87' ' ' ARG . 1.7 t -85.35 118.97 25.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 108.355 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 2.9 mt-10 -36.75 -53.69 1.81 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.315 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.1 Cg_endo -75.02 -48.2 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.481 1.779 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -95.76 53.09 1.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 109.501 -179.892 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 83' ' ' CYS . 2.3 ptp180 -82.91 53.89 2.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.72 51.08 0.14 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.485 1.115 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -123.9 26.07 7.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 113.1 -26.94 9.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.431 ' HG3' ' O ' ' A' ' 91' ' ' MET . 26.0 ptm -109.46 119.75 40.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 0.762 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.546 HG12 ' N ' ' A' ' 93' ' ' GLY . 91.2 t -146.24 168.34 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.546 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -133.15 133.53 7.05 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.426 1.079 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.34 119.36 24.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 109.368 179.937 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.454 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 2.3 t -109.47 144.95 16.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.1 t -140.62 105.41 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.916 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.573 HG22 ' CD2' ' A' ' 73' ' ' PHE . 61.3 t -87.82 141.41 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.706 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 3.5 t0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.935 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -145.01 -179.95 6.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.949 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -75.83 115.04 15.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 89.7 m -81.1 130.08 34.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.418 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.722 HG21 HG11 ' A' ' 21' ' ' VAL . 42.1 t -145.18 105.39 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.368 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.56 121.79 22.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -29.51 69.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -122.35 -149.53 7.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 111.064 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -126.38 161.56 27.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 110.004 179.915 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -74.23 68.14 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.3 t 70.83 81.38 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.12 -79.31 0.04 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.547 1.154 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -143.33 179.29 7.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.46 100.06 9.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.4 m -145.05 150.58 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.565 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 64.0 m-85 -91.79 121.09 33.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.468 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 9.7 tt0 -144.23 123.36 7.15 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.301 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.791 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.97 129.25 18.12 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.019 -0.016 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.412 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 46.0 p -51.17 -30.59 17.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.399 1.062 . . . . 0.0 109.961 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.0 m -127.3 110.42 12.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.41 179.965 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.791 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -115.91 132.77 64.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.925 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.6 m -127.03 102.8 7.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.421 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.879 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.5 pt -107.44 179.0 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 0.0 109.352 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -75.81 171.75 13.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.707 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -89.07 126.65 35.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.56 1.162 . . . . 0.0 109.255 -179.925 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.623 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 108.7 -17.61 32.93 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.934 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.429 ' HB3' HD12 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -78.44 -179.62 6.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.803 . . . . 0.0 110.343 179.917 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -123.45 180.0 4.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.949 HG22 ' HB3' ' A' ' 3' ' ' ALA . 2.8 t -144.49 147.98 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.402 1.064 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -120.34 155.73 32.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.411 1.069 . . . . 0.0 109.277 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.634 ' CG ' HD13 ' A' ' 41' ' ' ILE . 19.3 m-90 -134.78 109.78 8.78 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.6 t -74.89 136.08 25.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -75.1 116.78 16.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.597 1.186 . . . . 0.0 109.372 179.954 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -102.99 -174.04 2.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.933 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.788 ' C ' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -75.01 178.36 5.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.788 HD12 ' C ' ' A' ' 35' ' ' LYS . 2.2 mp 74.51 26.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.54 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -64.52 162.46 34.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.023 179.948 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.54 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.01 161.46 94.8 Favored 'Cis proline' 0 C--N 1.361 1.216 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.992 -0.037 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -139.25 101.77 4.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.618 -179.936 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -101.93 170.09 8.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.634 HD13 ' CG ' ' A' ' 31' ' ' TRP . 6.1 mt -132.73 98.75 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -99.7 118.14 45.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.662 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 0.6 OUTLIER -80.41 93.56 6.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.914 -179.945 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -75.46 108.14 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.923 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.49 99.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -116.63 53.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.12 -7.9 8.06 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.048 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 1.5 p -105.51 -179.61 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.357 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.591 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -76.18 143.38 41.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.599 1.187 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.54 -61.58 2.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.219 -179.977 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.594 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 5.0 m-20 -46.54 -39.39 10.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.956 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.566 HG21 ' OH ' ' A' ' 79' ' ' TYR . 43.3 m -63.43 -53.34 53.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.662 ' HB1' ' O ' ' A' ' 43' ' ' PHE . . . -59.02 -26.51 64.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -59.82 -55.34 35.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -69.65 -32.85 71.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.656 HD12 ' CE1' ' A' ' 79' ' ' TYR . 12.4 mt -82.6 1.13 39.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 2.6 m -101.05 156.09 17.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.971 -179.944 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.508 ' CE1' ' CD1' ' A' ' 69' ' ' PHE . 28.1 m-70 -135.88 98.52 3.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.6 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -94.0 25.0 3.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.43 -162.87 38.62 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 mp -144.03 165.73 26.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.07 123.25 12.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.504 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 11.0 m-85 -129.92 13.54 5.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -129.16 151.9 49.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.13 63.78 5.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.32 37.67 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -135.78 101.28 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 110.289 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 0.9 OUTLIER -112.93 130.62 56.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.508 ' CD1' ' CE1' ' A' ' 58' ' ' HIS . 5.7 m-85 -82.98 171.93 13.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.426 1.079 . . . . 0.0 111.051 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 6.2 m -138.02 152.17 48.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 -179.951 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.438 ' OG ' HD22 ' A' ' 56' ' ' LEU . 41.9 t -142.01 142.83 32.94 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.495 ' O ' HD21 ' A' ' 56' ' ' LEU . 74.6 m -87.05 117.17 25.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.445 1.091 . . . . 0.0 110.367 -179.937 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.78 ' CD2' HD11 ' A' ' 23' ' ' ILE . 3.3 m-30 -104.57 64.1 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.623 HG22 ' HA2' ' A' ' 26' ' ' GLY . 0.7 OUTLIER -90.52 -57.1 2.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.464 179.975 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.21 119.35 64.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.418 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.96 101.22 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.448 1.762 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.68 -154.88 7.56 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.0 m -124.68 126.52 45.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 0.739 . . . . 0.0 110.316 -179.87 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 1.048 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 88.3 m-85 -120.05 105.83 11.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.5 m -80.61 100.18 8.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.418 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.555 ' CE1' ' HA3' ' A' ' 93' ' ' GLY . 20.9 p90 -107.95 132.1 53.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 111.045 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.705 ' HB3' HG13 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -144.19 -179.6 6.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -83.34 131.06 35.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 108.336 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.522 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 3.1 mt-10 -46.96 -50.33 45.71 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.03 -57.59 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.495 1.787 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -85.68 68.03 10.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.62 -64.01 1.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 179.931 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.21 50.0 0.86 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.71 -34.07 6.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 147.85 -20.85 1.45 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.565 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -91.16 102.92 15.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 0.747 . . . . 0.0 110.974 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.705 HG13 ' HB3' ' A' ' 82' ' ' TYR . 4.1 t -146.06 149.25 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.555 ' HA3' ' CE1' ' A' ' 81' ' ' TYR . . . -119.19 154.78 16.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.493 1.12 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -127.99 112.65 14.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 0.806 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.596 HG13 ' CE2' ' A' ' 73' ' ' PHE . 2.8 t -95.98 139.85 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.7 t -139.94 110.99 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.611 HG22 ' CD2' ' A' ' 73' ' ' PHE . 93.9 t -93.37 144.81 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.707 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -144.55 167.36 22.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.95 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 1.043 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -80.58 114.18 19.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.236 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 m -82.93 130.83 35.19 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.536 1.148 . . . . 0.0 110.362 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.6 HG11 ' OH ' ' A' ' 81' ' ' TYR . 70.2 t -144.9 106.7 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.22 138.44 38.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.497 ' CE ' ' O ' ' A' ' 39' ' ' HIS . 1.9 ptm -89.32 43.24 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.387 1.054 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 169.28 -141.39 6.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.394 1.059 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.5 m -156.97 141.36 16.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.055 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -76.8 66.95 2.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.396 1.06 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.83 -79.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.91 41.14 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 111.046 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.72 140.74 28.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.023 HD12 ' SD ' ' A' ' 91' ' ' MET . 0.9 OUTLIER -97.51 98.97 10.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -146.1 149.52 16.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.402 ' CD1' ' HE2' ' A' ' 81' ' ' TYR . 75.1 m-85 -88.18 120.0 29.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 2.8 tt0 -141.97 117.34 6.93 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.252 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.685 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -74.94 138.47 56.27 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.974 -2.511 . . . . 0.0 110.996 -0.068 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.6 p -65.25 -31.52 72.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 0.0 110.003 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.0 m -129.59 123.89 32.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.685 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.2 m -127.3 155.89 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.0 m -138.65 100.74 4.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.378 -179.931 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.907 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.3 pp -108.11 -178.86 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.672 ' O ' HD12 ' A' ' 23' ' ' ILE . 20.6 mmtt -74.37 177.72 5.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.233 -179.929 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.451 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . . . -100.34 91.72 4.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.88 -15.03 2.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.914 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.643 ' HB3' HD13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -75.41 174.54 9.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 110.315 179.955 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.451 ' HG3' ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -119.16 147.49 44.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 110.246 -179.956 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.043 HG22 ' HB3' ' A' ' 3' ' ' ALA . 3.0 t -116.85 140.92 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -120.07 155.02 33.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.243 -179.952 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.403 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 18.6 m-90 -120.76 168.21 11.67 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.3 t -145.23 129.63 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -98.57 134.39 41.58 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -119.72 -73.73 0.63 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.558 1.161 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.04 172.56 12.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.372 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.674 HD22 HD22 ' A' ' 14' ' ' LEU . 0.4 OUTLIER 71.95 71.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 179.969 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -124.62 159.95 55.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.398 1.061 . . . . 0.0 109.991 -179.976 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.851 ' HB2' HD12 ' A' ' 61' ' ' LEU . 18.5 Cg_endo -75.04 157.08 99.8 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.051 -2.479 . . . . 0.0 110.994 0.004 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.497 ' O ' ' CE ' ' A' ' 7' ' ' MET . 0.3 OUTLIER -142.24 112.19 6.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 109.594 -179.975 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.41 ' HB3' HD13 ' A' ' 61' ' ' LEU . 1.7 p-10 -96.58 172.06 8.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.538 HG23 ' HB2' ' A' ' 81' ' ' TYR . 25.5 mt -134.25 104.22 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 -179.966 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -107.07 122.2 60.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.407 1.067 . . . . 0.0 109.322 -179.991 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.629 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -94.6 95.89 9.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.878 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -73.85 121.45 20.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.85 99.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -121.25 55.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.935 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 132.54 -13.67 5.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.605 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -112.59 177.96 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 0.782 . . . . 0.0 109.327 179.955 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.504 ' O ' HG13 ' A' ' 48' ' ' VAL . 26.1 t0 -74.59 170.59 15.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 1.069 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -80.06 -70.14 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.24 -179.957 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.627 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 2.9 m-20 -39.55 -38.38 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.631 HG22 ' HE2' ' A' ' 79' ' ' TYR . 6.1 m -63.02 -54.24 41.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.79 -11.54 60.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -63.31 -63.81 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -36.88 83.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.021 HD11 ' O ' ' A' ' 72' ' ' THR . 0.1 OUTLIER -62.89 -30.67 71.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.6 m -74.71 162.2 28.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.952 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.468 ' ND1' ' CD1' ' A' ' 69' ' ' PHE . 82.4 m-70 -140.61 99.76 3.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.621 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -84.89 -51.76 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -43.95 107.2 0.12 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.946 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.851 HD12 ' HB2' ' A' ' 38' ' ' PRO . 4.1 mm? -53.48 -173.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.06 124.07 15.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.214 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.532 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 8.8 m-85 -125.5 45.26 2.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.11 126.1 14.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.47 90.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.24 -179.911 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 130.94 45.21 0.16 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -96.3 127.22 42.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 110.246 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.0 m -132.04 112.19 12.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.014 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.468 ' CD1' ' ND1' ' A' ' 58' ' ' HIS . 1.4 m-85 -87.35 170.13 11.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.451 ' CG2' ' HG3' ' A' ' 28' ' ' GLU . 12.3 m -128.17 151.15 49.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.46 ' OG ' ' CD2' ' A' ' 56' ' ' LEU . 29.0 t -144.46 138.13 27.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.043 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 72' ' ' THR . . . . . 1.021 ' O ' HD11 ' A' ' 56' ' ' LEU . 17.4 m -97.34 115.32 27.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 110.451 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.709 ' CB ' HD11 ' A' ' 23' ' ' ILE . 3.5 m-30 -96.8 52.32 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.056 179.959 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.0 m -74.18 -65.98 0.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.7 122.52 74.69 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 105.76 2.14 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.447 1.762 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.33 -141.68 3.25 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.939 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 18.6 m -145.01 97.33 3.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.407 0.71 . . . . 0.0 110.401 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.691 ' CD2' HD22 ' A' ' 56' ' ' LEU . 85.9 m-85 -88.11 134.45 33.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 111.088 179.907 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.417 HG22 ' HG2' ' A' ' 94' ' ' LYS . 41.7 p -117.72 109.58 16.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.416 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.611 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 34.3 p90 -110.34 127.68 55.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.878 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -133.77 176.64 8.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 -179.98 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.436 ' O ' ' CA ' ' A' ' 87' ' ' ARG . 0.5 OUTLIER -84.55 135.9 34.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 108.367 179.931 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.508 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 2.0 mt-10 -56.3 -51.07 83.78 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -75.0 -47.79 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.443 1.76 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.601 ' CE1' HD13 ' A' ' 14' ' ' LEU . 29.5 m80 -92.29 36.66 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.389 1.056 . . . . 0.0 109.566 -179.933 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.549 ' CG ' ' CD1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -74.35 91.34 2.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 -179.945 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.92 12.53 57.71 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -179.938 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.81 -34.53 62.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 0.737 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.56 -35.27 0.17 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 0.0 111.076 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 91' ' ' MET . . . . . 1.023 ' SD ' HD12 ' A' ' 14' ' ' LEU . 11.4 ptm -96.78 120.8 37.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 0.781 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.603 HG13 ' HB3' ' A' ' 82' ' ' TYR . 3.3 t -147.23 153.46 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.414 ' HA3' ' CE1' ' A' ' 81' ' ' TYR . . . -118.0 151.05 18.09 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.417 ' HG2' HG22 ' A' ' 80' ' ' THR . 0.2 OUTLIER -141.32 93.79 2.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 0.795 . . . . 0.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.666 HG21 ' HZ ' ' A' ' 73' ' ' PHE . 1.4 t -81.08 148.34 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 0.0 109.268 179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.8 t -139.49 112.92 6.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.944 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.497 HG22 ' CD2' ' A' ' 73' ' ' PHE . 26.3 t -93.13 147.62 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.9 t70 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.957 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.691 ' HB2' HG21 ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.2 m -142.53 126.82 17.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.388 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.938 HG22 ' HD2' ' A' ' 18' ' ' PRO . 79.1 t -129.37 139.71 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.11 132.35 52.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.828 ' CG ' HD11 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -79.01 52.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 110.967 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 162.71 -139.84 6.16 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.494 ' HB3' HG22 ' A' ' 15' ' ' VAL . 86.6 p -156.03 143.41 19.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.17 69.41 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -168.63 -68.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.002 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.85 47.8 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.06 131.53 19.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.0 HD23 HD22 ' A' ' 36' ' ' LEU . 1.7 pp -80.33 100.46 8.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.494 HG22 ' HB3' ' A' ' 9' ' ' SER . 33.8 m -142.85 168.73 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.568 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 29.9 m-85 -118.92 102.19 8.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.491 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.1 tt0 -129.53 135.88 28.23 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.938 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.4 Cg_endo -74.97 133.77 32.89 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.017 0.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.426 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 59.5 p -54.62 -23.18 15.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.962 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.9 m -142.57 129.31 20.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.43 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.84 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -129.46 144.31 38.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.3 m -128.37 119.49 25.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.385 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.71 HD11 ' CB ' ' A' ' 73' ' ' PHE . 1.1 pp -131.35 -179.35 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.593 ' O ' HD12 ' A' ' 23' ' ' ILE . 49.4 mttt -74.56 176.66 6.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.72 92.58 5.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.92 -16.36 2.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.458 1.099 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.453 ' HB3' HD13 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -78.48 172.26 13.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 110.27 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.61 175.97 5.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.555 HG22 ' HB3' ' A' ' 3' ' ' ALA . 88.7 t -142.11 136.95 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -112.42 145.24 40.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 8.8 m-90 -110.27 175.18 5.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 108.006 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.1 t -143.41 145.42 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.737 HD21 ' HB1' ' A' ' 62' ' ' ALA . 0.8 OUTLIER -78.96 145.34 34.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -137.64 -163.04 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -87.39 -179.88 6.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.238 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.0 HD22 HD23 ' A' ' 14' ' ' LEU . 1.2 mp 68.41 32.87 4.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.557 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -74.89 163.11 70.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.011 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.571 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.4 Cg_endo -74.97 163.37 90.86 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.033 -0.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 7' ' ' MET . 1.3 m-70 -130.12 99.81 5.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.578 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 60' ' ' GLY . 7.1 m-20 -83.02 168.11 17.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.828 HD11 ' CG ' ' A' ' 7' ' ' MET . 44.2 mt -145.09 99.93 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.36 120.2 64.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.583 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -90.87 95.75 10.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.881 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -74.73 119.82 19.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.4 95.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.8 OUTLIER -121.26 73.86 1.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.369 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.76 -24.95 13.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.683 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -103.5 -179.69 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.516 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -74.78 170.97 14.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -82.84 -69.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.701 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 4.2 m-20 -43.1 -39.84 2.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.612 HG22 ' HE2' ' A' ' 79' ' ' TYR . 1.5 m -61.49 -61.21 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.412 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.447 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -63.37 -13.54 40.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -65.21 -63.14 1.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -59.09 -27.88 65.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.784 HD11 ' O ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -78.38 -29.47 47.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 53' ' ' ALA . 82.4 p -74.61 155.08 38.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.995 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -132.23 100.15 4.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.621 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -86.23 49.36 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.858 ' C ' HD23 ' A' ' 61' ' ' LEU . . . -118.47 -143.04 7.14 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.858 HD23 ' C ' ' A' ' 60' ' ' GLY . 0.0 OUTLIER -159.78 -176.22 5.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 0.724 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.737 ' HB1' HD21 ' A' ' 33' ' ' ASN . . . -144.91 125.33 13.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 13.1 m-85 -133.32 -43.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.48 131.97 34.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.13 97.13 8.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.57 -25.23 0.44 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -75.79 140.74 42.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 110.321 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.5 m -135.9 164.86 26.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.165 . . . . 0.0 109.988 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -119.78 172.98 7.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.4 m -136.88 150.55 48.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 110.397 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.0 t -145.07 137.67 26.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.969 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.784 ' O ' HD11 ' A' ' 56' ' ' LEU . 15.3 m -93.61 123.01 36.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 110.364 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.71 ' CB ' HD11 ' A' ' 23' ' ' ILE . 4.1 m-30 -103.2 43.75 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.1 m -66.16 -69.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.379 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.5 124.4 75.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.326 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 112.75 3.63 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -166.1 -153.83 7.92 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.47 1.107 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 t -134.6 109.85 8.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 110.393 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.683 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 81.9 m-85 -101.88 133.33 46.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.3 m -118.58 110.9 17.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.427 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.911 ' OH ' HG11 ' A' ' 5' ' ' VAL . 36.3 p90 -110.65 129.79 55.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.881 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -127.09 178.55 5.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 87' ' ' ARG . 0.1 OUTLIER -80.94 126.16 31.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 108.274 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.514 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -61.71 -50.5 81.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.1 Cg_endo -75.01 -16.96 19.91 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.477 1.777 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.99 45.48 2.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.586 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.2 OUTLIER -76.24 -0.43 22.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.255 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -151.0 59.08 0.43 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.53 -50.34 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 146.97 46.28 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.568 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -143.58 99.27 3.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 111.014 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.518 HG22 ' N ' ' A' ' 93' ' ' GLY . 3.0 p -145.95 167.32 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.518 ' N ' HG22 ' A' ' 92' ' ' VAL . . . -141.74 158.1 26.52 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.85 144.07 50.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.744 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.556 HG13 ' CE2' ' A' ' 73' ' ' PHE . 24.5 t -125.08 150.57 30.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.5 t -144.77 116.12 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.625 HG11 ' O ' ' A' ' 73' ' ' PHE . 35.3 t -105.2 142.87 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.966 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.6 m -75.49 128.2 34.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.678 HG13 ' HD2' ' A' ' 18' ' ' PRO . 34.3 t -145.11 101.37 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -82.02 127.01 32.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.547 1.155 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.419 ' HB2' ' CE1' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -94.96 37.1 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 177.8 136.85 2.6 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.7 p -77.06 134.14 38.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 110.016 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.416 ' OD1' ' ND2' ' A' ' 34' ' ' ASN . 16.0 m-20 -74.8 64.04 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.14 -72.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.022 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.08 38.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.43 1.081 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.07 157.74 44.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 0.782 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.817 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -104.61 100.55 10.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.24 -179.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.0 m -139.88 132.15 34.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.58 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 31.3 m-85 -83.47 118.62 23.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 111.088 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.7 tt0 -138.12 134.02 17.64 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.288 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.931 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.0 132.31 27.14 Favored 'Cis proline' 0 C--N 1.361 1.209 0 C-N-CA 121.06 -2.475 . . . . 0.0 110.971 0.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.451 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 15.8 t -44.3 -37.4 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.013 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -131.55 109.83 10.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.354 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.931 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -105.65 131.86 54.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.711 HG23 HG12 ' A' ' 96' ' ' VAL . 24.7 m -122.33 102.86 8.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.602 1.189 . . . . 0.0 110.359 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.905 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.3 pt -116.33 -179.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.257 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.54 172.93 12.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.24 126.66 36.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.16 -4.61 41.29 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.468 1.105 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.482 ' HB3' HD12 ' A' ' 23' ' ' ILE . 2.0 tt0 -88.9 -179.79 6.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.88 151.65 48.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.966 HG22 ' HB3' ' A' ' 3' ' ' ALA . 5.6 t -122.32 119.36 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.71 147.36 26.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.623 ' CG ' HD13 ' A' ' 41' ' ' ILE . 3.0 m-90 -123.33 122.68 38.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.1 t -87.03 134.92 26.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.439 1.087 . . . . 0.0 109.359 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -77.74 116.66 18.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.358 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.416 ' ND2' ' OD1' ' A' ' 10' ' ' ASP . 1.7 t-20 -103.24 -167.19 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -76.15 175.36 9.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.247 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.817 HD13 ' HB3' ' A' ' 14' ' ' LEU . 0.3 OUTLIER 77.9 69.82 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.525 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -114.67 161.89 26.46 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 110.034 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.525 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.05 140.51 67.69 Favored 'Cis proline' 0 C--N 1.359 1.116 0 C-N-CA 120.932 -2.528 . . . . 0.0 111.004 0.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.669 ' H ' ' HB3' ' A' ' 62' ' ' ALA . 0.6 OUTLIER -140.45 100.07 3.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.645 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -94.62 173.16 7.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.623 HD13 ' CG ' ' A' ' 31' ' ' TRP . 79.0 mt -117.86 107.41 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.212 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.484 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -108.41 132.94 54.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.243 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.716 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -91.74 92.14 8.28 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.539 1.149 . . . . 0.0 111.019 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -74.43 99.95 3.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.23 97.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -110.05 62.6 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.382 1.051 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 118.86 -22.15 9.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.447 1.092 . . . . 0.0 111.047 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.979 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 2.5 p -91.27 179.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.64 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -76.04 133.95 40.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.62 -50.65 73.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.242 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.38 -37.08 46.31 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.683 ' O ' HD12 ' A' ' 56' ' ' LEU . 92.9 m -72.53 -39.83 67.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.363 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.716 ' HB1' ' O ' ' A' ' 43' ' ' PHE . . . -70.18 -18.33 63.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.414 1.072 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.78 -35.3 38.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -78.41 -18.96 54.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.947 HD21 ' O ' ' A' ' 72' ' ' THR . 1.1 mp -104.98 -3.73 22.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.59 151.79 22.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 110.044 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' ILE . 24.7 m-70 -140.63 99.93 3.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.599 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.484 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 2.3 mttt -97.29 43.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.483 ' C ' HD22 ' A' ' 61' ' ' LEU . . . -87.59 -171.13 46.89 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.441 1.088 . . . . 0.0 110.961 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.483 HD22 ' C ' ' A' ' 60' ' ' GLY . 3.5 mm? -120.3 114.67 22.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.669 ' HB3' ' H ' ' A' ' 39' ' ' HIS . . . -88.24 118.14 27.62 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -140.63 -47.46 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.19 114.57 24.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.08 93.93 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.36 -31.74 0.15 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.437 1.086 . . . . 0.0 110.986 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -75.09 127.3 32.9 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.446 0.733 . . . . 0.0 110.279 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.9 p -124.08 142.6 51.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.436 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 22.0 m-85 -96.25 170.74 9.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.39 124.72 13.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.444 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.859 ' CB ' HD23 ' A' ' 56' ' ' LEU . 1.3 m -113.82 133.24 55.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.973 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.947 ' O ' HD21 ' A' ' 56' ' ' LEU . 2.3 m -74.82 121.3 21.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.693 ' CE2' HG13 ' A' ' 95' ' ' VAL . 3.7 m-30 -104.03 64.68 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.688 HG23 HG22 ' A' ' 72' ' ' THR . 81.5 p -85.8 -68.92 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.442 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.17 118.85 23.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.217 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.4 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -75.05 101.19 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -162.6 -138.25 2.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.4 m -140.76 133.14 28.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 110.365 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.979 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 96.8 m-85 -124.79 104.53 8.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 111.03 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.43 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 5.3 m -77.86 101.02 6.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.556 ' CE1' HG23 ' A' ' 95' ' ' VAL . 29.3 p90 -111.22 138.77 47.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.65 ' HB3' HG13 ' A' ' 92' ' ' VAL . 0.7 OUTLIER -143.95 -179.79 6.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.412 1.07 . . . . 0.0 111.016 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.0 p -87.32 110.31 20.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 108.309 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.519 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 5.0 tt0 -43.58 -50.75 17.0 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.535 ' O ' ' CG ' ' A' ' 86' ' ' HIS . 18.1 Cg_endo -75.09 56.87 4.44 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.535 ' CG ' ' O ' ' A' ' 85' ' ' PRO . 1.2 m170 167.78 42.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.584 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -76.71 60.43 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 139.63 61.4 0.04 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -135.63 -47.01 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 0.762 . . . . 0.0 109.341 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 133.94 43.38 0.13 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.673 ' CB ' HD12 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -145.33 99.07 3.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 0.75 . . . . 0.0 110.979 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.65 HG13 ' HB3' ' A' ' 82' ' ' TYR . 31.6 t -146.21 161.01 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.23 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -125.8 169.76 17.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.2 109.83 7.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 0.771 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.693 HG13 ' CE2' ' A' ' 73' ' ' PHE . 8.9 t -86.0 148.81 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.711 HG12 HG23 ' A' ' 22' ' ' THR . 3.2 t -144.68 106.93 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.302 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.527 HG22 ' CD2' ' A' ' 73' ' ' PHE . 48.2 t -94.85 146.65 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.1 t0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 1.052 ' HB2' HG21 ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.3 m -120.27 131.84 55.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.44 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.599 HG11 ' OH ' ' A' ' 81' ' ' TYR . 91.8 t -143.79 119.39 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.44 149.05 23.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.547 ' O ' ' HE2' ' A' ' 91' ' ' MET . 3.5 mtm -76.21 -49.87 16.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -110.67 -130.74 5.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.3 p -141.65 149.1 40.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.592 0.819 . . . . 0.0 110.028 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -74.88 64.83 1.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.31 -64.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 110.068 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.87 49.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.99 123.56 12.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 109.337 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -80.15 102.32 9.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.259 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.8 m -142.78 132.15 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -82.44 102.02 11.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 111.056 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.507 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -145.08 136.45 12.64 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 110.273 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.589 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -75.02 132.78 28.72 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.971 -2.512 . . . . 0.0 111.052 0.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.45 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 63.2 p -59.86 -36.12 76.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -119.81 127.61 52.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.589 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.4 m -139.21 145.51 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 m -135.64 115.99 13.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 110.474 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 1.052 HG21 ' HB2' ' A' ' 3' ' ' ALA . 4.2 pt -119.5 -179.81 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -75.99 174.74 9.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.504 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -94.4 126.66 39.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.21 -18.94 30.25 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.509 1.13 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.49 ' HB3' HD12 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -79.96 179.0 7.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.407 0.71 . . . . 0.0 110.247 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 71' ' ' SER . 1.2 pm0 -126.26 169.47 12.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.321 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.011 HG22 ' HB3' ' A' ' 3' ' ' ALA . 13.2 t -123.35 140.89 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -109.29 149.38 29.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.366 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.535 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 2.6 m-90 -123.85 151.67 43.18 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.2 t -141.59 125.36 16.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -81.89 166.17 20.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -145.42 -80.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -138.2 177.41 7.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.231 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.573 HD22 ' N ' ' A' ' 36' ' ' LEU . 1.2 mm? 66.14 54.85 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.535 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -90.62 162.57 33.37 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.007 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.571 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.5 Cg_endo -75.02 163.03 91.66 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.05 -0.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -140.22 108.37 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.103 . . . . 0.0 109.669 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.62 -179.47 3.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.466 1.104 . . . . 0.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 58' ' ' HIS . 1.3 mp -130.93 105.82 11.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.425 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -112.77 114.81 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 109.31 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.652 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -95.84 99.12 10.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.891 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -74.66 113.27 11.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.214 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.0 96.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -126.95 78.79 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.63 -24.85 11.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.48 1.113 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.891 HG11 ' CE2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -104.09 -179.59 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.522 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -74.91 171.1 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.44 -69.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.651 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 1.5 m-20 -44.99 -42.35 8.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.518 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 2.8 m -58.73 -48.91 79.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 110.38 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -72.85 -14.81 61.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -66.16 -46.32 77.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.96 -37.17 70.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.416 1.073 . . . . 0.0 109.308 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.459 HD22 ' CE2' ' A' ' 79' ' ' TYR . 6.1 mp -74.73 -22.69 58.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -74.38 145.8 43.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.034 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' ILE . 6.0 m-70 -131.6 99.96 4.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.547 1.154 . . . . 0.0 109.576 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.425 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -105.75 50.87 0.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 109.356 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 61' ' ' LEU . . . -133.97 78.61 0.35 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.941 HD13 ' CE1' ' A' ' 63' ' ' PHE . 1.1 pp -40.31 159.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 0.742 . . . . 0.0 109.253 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -123.83 131.9 53.67 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.125 . . . . 0.0 109.232 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.941 ' CE1' HD13 ' A' ' 61' ' ' LEU . 8.2 m-85 -126.38 32.11 5.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 110.961 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.78 134.97 27.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.26 73.36 3.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.22 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.45 44.02 0.02 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.509 1.131 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -121.2 132.39 54.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.4 m -138.03 122.12 17.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 0.0 109.977 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -93.48 167.1 11.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.1 m -132.61 154.7 49.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 110.397 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 22.4 p -145.13 131.49 19.63 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 1.146 . . . . 0.0 110.023 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.443 ' O ' HD11 ' A' ' 56' ' ' LEU . 6.3 m -84.79 106.69 16.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 110.359 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.671 ' CE2' HG21 ' A' ' 29' ' ' VAL . 4.2 m-30 -91.91 60.0 3.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -78.97 -64.72 1.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.381 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.91 119.08 55.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.429 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.4 Cg_endo -75.01 107.26 2.44 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.451 1.764 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.7 -152.96 6.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.6 m -132.2 95.8 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 110.411 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.891 ' CE2' HG11 ' A' ' 48' ' ' VAL . 96.8 m-85 -93.93 138.87 31.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.1 m -121.27 111.02 16.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.099 . . . . 0.0 110.383 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.599 ' OH ' HG11 ' A' ' 5' ' ' VAL . 38.3 p90 -109.78 139.91 44.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.891 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -141.14 -179.29 6.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.411 1.069 . . . . 0.0 111.072 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.52 ' HG ' ' CE1' ' A' ' 86' ' ' HIS . 0.5 OUTLIER -85.88 125.91 33.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 108.262 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.541 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -62.47 -48.77 86.03 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -74.99 -18.66 18.56 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.501 1.79 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.52 ' CE1' ' HG ' ' A' ' 83' ' ' CYS . 0.2 OUTLIER -127.74 45.21 2.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.627 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.9 OUTLIER -77.99 -29.76 49.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -117.83 47.03 1.07 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.411 1.069 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.68 -50.5 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 148.01 45.44 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.547 ' HE2' ' O ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -136.51 98.44 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 0.735 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.537 HG22 ' N ' ' A' ' 93' ' ' GLY . 3.0 p -146.66 167.99 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.537 ' N ' HG22 ' A' ' 92' ' ' VAL . . . -152.44 149.9 21.63 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.582 1.177 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.98 150.4 29.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.652 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 12.9 t -134.01 145.96 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.6 t -142.76 104.84 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.435 1.084 . . . . 0.0 109.336 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.612 HG22 ' CD2' ' A' ' 73' ' ' PHE . 63.8 t -84.88 144.46 9.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.379 1.049 . . . . 0.0 109.268 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.504 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.65 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.4 m -136.08 123.81 22.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 110.384 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.689 HG22 ' HD2' ' A' ' 18' ' ' PRO . 63.9 t -107.88 133.67 52.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.15 115.22 27.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.91 99.59 6.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.17 102.81 2.6 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 m -43.5 148.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 110.032 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -74.39 60.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.05 -70.79 0.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.66 42.0 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.581 1.175 . . . . 0.0 111.005 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.17 121.45 10.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 0.777 . . . . 0.0 109.236 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.619 HD12 ' HG3' ' A' ' 91' ' ' MET . 1.5 pp -77.38 99.59 5.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.6 m -141.3 135.0 31.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.607 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 13.7 m-85 -78.0 108.43 11.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.495 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -136.84 134.88 19.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.824 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.01 133.34 30.98 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.018 -0.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.433 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 60.3 p -49.13 -36.12 18.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 m -129.68 114.07 15.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.384 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.824 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -111.75 129.45 67.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.4 m -125.38 103.03 7.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.122 . . . . 0.0 110.403 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.971 HD11 ' CD2' ' A' ' 73' ' ' PHE . 2.3 pt -107.87 -179.87 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -80.69 177.65 8.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.3 93.62 8.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.31 -10.65 3.82 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -75.22 178.65 5.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 0.744 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.95 172.1 8.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.6 HG12 ' CZ3' ' A' ' 31' ' ' TRP . 30.6 t -141.72 121.75 11.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -107.68 144.44 34.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.721 ' CD1' HD13 ' A' ' 41' ' ' ILE . 10.6 m-90 -111.7 148.71 32.86 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.4 t -135.76 124.04 37.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -78.17 143.79 36.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -126.3 -86.68 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.405 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -141.78 -179.34 6.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.591 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 3.0 mm? 67.86 44.85 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.172 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.599 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -85.29 164.8 39.38 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.599 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.98 160.92 95.84 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.99 -0.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 3.8 m-70 -136.84 100.03 4.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.567 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 60' ' ' GLY . 3.4 m-20 -95.3 170.07 9.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.408 1.068 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.721 HD13 ' CD1' ' A' ' 31' ' ' TRP . 13.2 mt -138.67 99.82 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.574 1.171 . . . . 0.0 109.227 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -114.18 117.31 55.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.588 1.18 . . . . 0.0 109.344 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.59 ' CD1' ' HB3' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -89.72 102.83 15.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.879 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -80.88 120.21 24.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.95 95.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' ALA . 4.4 t70 -122.68 72.83 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.6 -29.26 7.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.113 . . . . 0.0 111.064 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.666 HG11 ' CE1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -99.83 -179.72 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.537 0.786 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.517 ' O ' HG13 ' A' ' 48' ' ' VAL . 6.6 m-20 -75.0 167.59 21.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -75.79 -67.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 82.8 m-20 -45.45 -43.74 11.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.592 HG22 ' HE1' ' A' ' 79' ' ' TYR . 4.2 m -58.27 -38.71 77.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -86.08 -14.52 44.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -69.4 -36.71 77.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.7 -40.22 20.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.742 HD11 ' O ' ' A' ' 72' ' ' THR . 1.5 mp -68.74 -26.72 65.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 18.0 m -75.54 155.85 35.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 72.0 m-70 -131.92 100.7 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.645 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -98.84 44.75 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.415 ' O ' ' ND2' ' A' ' 40' ' ' ASN . . . -100.23 -148.71 22.83 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.64 159.27 37.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 0.796 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.601 ' O ' ' CD1' ' A' ' 63' ' ' PHE . . . -135.78 151.77 50.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.396 1.06 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 62' ' ' ALA . 0.3 OUTLIER 162.05 -50.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 111.048 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.62 105.5 6.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.628 1.205 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.67 135.27 56.71 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 109.244 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 120.53 -21.56 8.55 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.576 1.172 . . . . 0.0 111.058 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -77.93 131.92 37.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 0.807 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 12.5 p -136.24 134.14 37.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.122 . . . . 0.0 109.987 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.564 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 17.4 m-85 -95.36 172.64 7.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.1 m -133.21 152.71 51.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.436 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.51 ' OG ' HD23 ' A' ' 56' ' ' LEU . 25.7 t -139.88 141.87 36.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.943 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.996 HG22 HG23 ' A' ' 74' ' ' THR . 85.1 m -95.28 132.72 39.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 1.088 ' CD2' HG22 ' A' ' 97' ' ' VAL . 5.1 m-85 -123.51 35.16 4.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.996 HG23 HG22 ' A' ' 72' ' ' THR . 70.9 p -60.71 -71.08 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.417 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 38.4 tt0 -72.17 137.78 81.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.431 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.99 114.8 4.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.453 1.765 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.59 ' HA3' HG23 ' A' ' 48' ' ' VAL . . . -150.98 -165.82 13.17 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.477 1.111 . . . . 0.0 110.913 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.2 m -128.72 102.49 6.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.599 0.823 . . . . 0.0 110.38 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.666 ' CE1' HG11 ' A' ' 48' ' ' VAL . 82.3 m-85 -101.89 132.49 47.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.062 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.8 m -122.31 107.86 12.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.403 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.59 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 34.1 p90 -107.91 143.55 36.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.879 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -143.69 174.95 10.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.454 ' SG ' ' ND1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER -78.67 121.66 24.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 108.258 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.485 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -47.66 -52.09 40.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -74.95 -49.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.462 1.769 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.529 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . 0.1 OUTLIER -92.94 47.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.598 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 83' ' ' CYS . 2.7 ttt180 -59.77 -45.28 92.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -116.26 55.27 0.55 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.529 ' HB3' ' HB3' ' A' ' 86' ' ' HIS . . . -130.59 58.81 1.67 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.468 0.746 . . . . 0.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 41.93 34.16 1.31 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.431 1.082 . . . . 0.0 110.962 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.619 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -133.02 99.42 4.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 111.033 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.4 t -146.07 158.67 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -137.85 119.77 1.9 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.597 1.186 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.45 130.88 44.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.732 HG22 HG22 ' A' ' 21' ' ' VAL . 1.0 OUTLIER -117.01 145.4 22.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.7 t -143.73 119.14 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 1.088 HG22 ' CD2' ' A' ' 73' ' ' PHE . 45.9 t -95.47 143.28 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.931 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.7 m -126.67 121.98 33.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.0 110.38 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.645 HG22 ' HD2' ' A' ' 18' ' ' PRO . 87.6 t -128.2 144.26 38.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.9 132.74 55.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.585 1.178 . . . . 0.0 109.246 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.5 mtm -84.17 50.82 1.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 111.049 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.24 146.04 4.59 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.6 p -76.58 146.16 38.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 0.734 . . . . 0.0 110.023 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -74.49 62.35 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.7 t -157.56 -69.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.8 41.33 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.85 116.0 10.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 109.331 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.444 HD12 ' HG3' ' A' ' 91' ' ' MET . 0.9 OUTLIER -74.67 99.88 3.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.1 m -142.05 131.23 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.451 ' CD2' ' HE2' ' A' ' 91' ' ' MET . 6.4 m-85 -80.89 105.31 12.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.516 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 19.4 tt0 -140.49 134.49 15.29 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.713 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.03 132.9 29.11 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.97 -2.512 . . . . 0.0 110.965 0.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.429 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 9.3 p -57.45 -35.42 70.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.172 . . . . 0.0 109.998 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.0 m -124.38 123.78 40.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.713 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.3 m -127.64 140.79 48.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.8 m -128.84 111.07 12.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.464 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.931 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 1.3 pp -119.18 -179.37 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.731 ' O ' HD12 ' A' ' 23' ' ' ILE . 3.2 mtmm -74.81 177.04 6.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.41 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . . . -97.7 89.04 4.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.242 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.34 -15.24 2.08 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.745 ' HB3' HD13 ' A' ' 23' ' ' ILE . 2.8 tp10 -74.89 172.8 11.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 110.343 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -115.89 165.72 12.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.236 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.804 HG22 ' HB3' ' A' ' 3' ' ' ALA . 77.9 t -135.89 135.14 50.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -113.36 145.64 40.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.566 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 16.5 m-90 -121.19 117.48 27.21 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.81 143.33 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.11 155.82 36.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -149.57 -175.3 4.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.224 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -74.71 -177.98 3.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 35' ' ' LYS . 4.3 mm? 68.61 40.07 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.649 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -75.04 167.52 36.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.649 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.0 164.0 89.41 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.97 -0.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -133.96 100.5 4.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.649 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.439 HD21 HD22 ' A' ' 61' ' ' LEU . 5.5 m-20 -100.98 178.11 4.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.369 1.043 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 29.8 mt -139.52 99.91 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -117.26 112.42 38.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -87.51 105.86 17.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.899 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -81.26 104.89 12.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.31 97.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' ALA . 4.6 t0 -125.13 79.51 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.359 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.09 -31.6 6.64 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.721 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -96.33 -179.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 0.782 . . . . 0.0 109.323 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.53 ' H ' HG22 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -74.58 172.39 12.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -84.71 -67.61 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.66 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 30.3 m-20 -45.56 -41.23 9.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.513 HG22 ' HE2' ' A' ' 79' ' ' TYR . 1.6 m -62.16 -51.89 66.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.438 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -71.47 -12.68 61.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.175 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -63.99 -68.15 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.576 1.172 . . . . 0.0 109.389 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -54.49 -38.59 66.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.713 HD11 ' O ' ' A' ' 72' ' ' THR . 0.6 OUTLIER -66.97 -34.2 77.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.162 . . . . 0.0 109.275 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.5 p -80.44 126.23 30.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.563 ' ND1' ' CD1' ' A' ' 69' ' ' PHE . 36.5 m-70 -94.33 179.61 5.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.592 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.87 -44.72 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.363 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -40.72 105.5 0.05 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.413 1.071 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 4.4 mm? -46.7 154.52 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.768 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.73 115.99 10.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 61' ' ' LEU . 10.1 m-85 -127.38 41.21 3.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -133.22 143.03 48.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.78 65.66 5.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 109.344 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 162.71 41.77 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -136.35 105.21 5.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 110.296 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 95.0 p -103.43 156.92 17.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.003 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.563 ' CD1' ' ND1' ' A' ' 58' ' ' HIS . 16.7 m-85 -107.49 177.93 4.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.7 m -141.15 148.08 39.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.162 . . . . 0.0 110.433 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.463 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 6.0 t -144.33 136.71 26.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.942 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.713 ' O ' HD11 ' A' ' 56' ' ' LEU . 59.6 m -91.21 125.0 35.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.452 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.688 ' CB ' HD11 ' A' ' 23' ' ' ILE . 3.6 m-30 -105.89 47.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 111.071 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.46 -50.03 29.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.68 122.27 85.5 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.441 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.99 114.7 4.09 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.499 1.789 . . . . 0.0 110.943 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -162.62 -144.69 4.09 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 110.947 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.441 ' CG2' ' HE2' ' A' ' 94' ' ' LYS . 6.2 m -145.61 93.8 2.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 0.742 . . . . 0.0 110.378 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.721 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 77.0 m-85 -89.61 133.23 34.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 m -115.56 112.64 22.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.412 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.607 ' OH ' HG11 ' A' ' 5' ' ' VAL . 34.5 p90 -112.83 140.55 47.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.899 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -141.17 -179.77 6.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 84' ' ' GLU . 1.5 t -86.26 120.14 27.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 108.313 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.462 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.4 OUTLIER -38.92 -53.74 3.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.265 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.0 Cg_endo -75.07 -46.69 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.423 1.749 . . . . 0.0 110.927 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.53 59.04 1.78 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.625 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.459 ' HG3' ' CG ' ' A' ' 82' ' ' TYR . 20.6 ttp180 -85.46 -62.05 1.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.587 1.18 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.62 55.17 0.83 Allowed Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.588 1.18 . . . . 0.0 110.934 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -125.57 -45.1 1.8 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 0.781 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 163.42 -28.78 0.24 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.528 1.142 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.451 ' HE2' ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -76.94 99.35 5.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 0.732 . . . . 0.0 111.024 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.521 HG12 ' N ' ' A' ' 93' ' ' GLY . 30.2 t -145.86 169.09 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.521 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -142.76 165.46 26.85 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.441 ' HE2' ' CG2' ' A' ' 78' ' ' THR . 0.0 OUTLIER -144.4 112.03 6.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.304 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.669 HG21 ' HZ ' ' A' ' 73' ' ' PHE . 1.6 t -91.14 154.95 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 38.1 t -144.9 108.64 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.658 HG22 ' CD2' ' A' ' 73' ' ' PHE . 41.9 t -97.19 137.87 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.26 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.921 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.1 m -143.87 115.95 8.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.425 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.59 HG11 ' OH ' ' A' ' 81' ' ' TYR . 54.5 t -108.52 150.81 10.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.48 130.79 56.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.49 ' O ' ' CE ' ' A' ' 91' ' ' MET . 8.9 mtm -57.89 -52.72 64.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.15 148.17 18.57 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.106 . . . . 0.0 111.046 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.3 p -71.92 152.4 42.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.38 62.38 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.43 -58.45 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.02 45.0 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.428 1.08 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.97 125.31 13.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 0.745 . . . . 0.0 109.265 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.744 HD23 ' HG ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -76.47 101.12 5.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.1 m -144.27 132.25 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.594 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 34.4 m-85 -81.62 101.79 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.052 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.492 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -135.55 132.08 19.6 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.588 1.18 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.776 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.6 Cg_endo -75.0 131.57 24.66 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.025 -0.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.438 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 11.1 p -52.73 -36.56 57.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.964 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.1 m -126.36 121.84 33.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.416 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.776 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -123.89 140.04 48.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.5 m -122.63 109.84 14.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.386 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.921 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 1.4 pt -118.15 -179.58 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -78.31 178.04 7.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.915 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -99.28 120.9 40.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.96 -19.7 15.24 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.539 1.15 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.21 179.63 5.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.264 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.46 172.2 10.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.684 HG22 ' HB3' ' A' ' 3' ' ' ALA . 2.9 t -134.25 147.91 30.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -121.68 138.85 54.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.569 ' CZ3' ' HB2' ' A' ' 71' ' ' SER . 3.5 m-90 -108.7 151.8 25.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 108.023 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.414 ' C ' ' HE1' ' A' ' 7' ' ' MET . 74.6 t -135.31 139.33 47.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.414 ' N ' ' HE1' ' A' ' 7' ' ' MET . 39.9 t30 -96.62 140.06 31.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.231 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -123.77 -70.72 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -143.6 179.88 6.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.351 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.744 ' HG ' HD23 ' A' ' 14' ' ' LEU . 3.9 mm? 64.34 55.55 1.41 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.504 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -98.19 161.34 25.76 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.504 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.09 163.29 91.01 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.973 0.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.494 ' CE1' ' SG ' ' A' ' 83' ' ' CYS . 0.3 OUTLIER -134.96 112.88 10.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.634 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.63 158.46 18.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 58' ' ' HIS . 1.8 mp -122.62 111.68 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -114.23 122.13 67.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.593 ' CE2' ' CG ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -82.51 93.13 7.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 80' ' ' THR . . . -75.29 107.01 7.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.252 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.39 98.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -118.51 60.91 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.94 -13.45 8.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.418 1.074 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.05 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -103.47 -179.71 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.267 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.525 ' H ' HG22 ' A' ' 48' ' ' VAL . 2.5 m-20 -76.16 165.34 25.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 51' ' ' ASP . . . -77.47 -69.35 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.875 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 10.1 m-20 -40.09 -48.13 2.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.574 HG21 ' OH ' ' A' ' 79' ' ' TYR . 98.8 m -49.0 -69.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.356 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.576 ' HB1' ' HB3' ' A' ' 43' ' ' PHE . . . -52.06 -21.47 3.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.875 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -66.34 -29.92 70.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.18 -28.91 20.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.002 HD21 ' O ' ' A' ' 72' ' ' THR . 2.6 mp -92.88 0.79 57.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.5 m -89.38 143.4 26.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.075 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 41' ' ' ILE . 41.8 m-70 -132.65 99.06 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 109.612 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -97.05 29.81 2.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.69 ' C ' HD12 ' A' ' 61' ' ' LEU . . . -86.66 -148.72 12.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.69 HD12 ' C ' ' A' ' 60' ' ' GLY . 5.7 mp -152.57 154.01 34.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 0.734 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -137.25 131.78 32.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.478 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 2.8 m-85 -129.17 -42.18 1.38 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.399 1.062 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.68 153.59 19.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.04 42.65 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.349 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -130.15 -40.44 0.26 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.458 1.098 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -74.36 126.63 31.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.751 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 3.6 m -134.1 142.19 47.43 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.14 . . . . 0.0 110.036 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -96.46 173.58 7.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 3.3 m -140.17 153.98 46.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.349 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.97 ' OG ' HD23 ' A' ' 56' ' ' LEU . 5.3 t -133.36 154.08 51.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.013 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 1.002 ' O ' HD21 ' A' ' 56' ' ' LEU . 53.2 m -106.33 102.61 12.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.406 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.604 ' CB ' HD11 ' A' ' 23' ' ' ILE . 4.7 m-30 -94.27 69.04 3.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.966 HG23 HG22 ' A' ' 72' ' ' THR . 40.7 p -88.44 -67.87 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.4 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.33 123.13 77.3 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 101.2 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.456 1.766 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.8 -138.53 2.62 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.2 m -143.27 129.89 20.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 110.401 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 1.05 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 96.7 m-85 -126.12 98.05 5.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.584 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 87.3 m -77.82 100.94 6.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.434 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.59 ' OH ' HG11 ' A' ' 5' ' ' VAL . 25.7 p90 -109.03 129.23 55.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.536 ' CZ ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -128.94 -179.87 5.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 1.021 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 1.7 m -77.46 126.13 30.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 108.312 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.502 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -52.75 -51.93 69.25 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -74.98 -50.91 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.579 1.831 . . . . 0.0 111.01 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -85.84 48.82 1.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.636 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.92 5.05 38.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 110.258 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -153.62 51.49 0.48 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.568 1.168 . . . . 0.0 111.006 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.18 -47.03 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.753 . . . . 0.0 109.231 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 146.4 45.11 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.123 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 1.021 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER -138.02 99.02 3.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.784 . . . . 0.0 110.989 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.512 HG22 ' N ' ' A' ' 93' ' ' GLY . 2.4 p -146.07 166.17 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.512 ' N ' HG22 ' A' ' 92' ' ' VAL . . . -139.8 154.05 23.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.14 104.93 8.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 0.776 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.53 ' CG1' ' CE2' ' A' ' 73' ' ' PHE . 55.4 t -85.0 145.11 8.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.3 t -139.35 101.57 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.425 1.078 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.421 HG22 ' CD2' ' A' ' 73' ' ' PHE . 91.8 t -93.87 141.47 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.247 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.915 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 30.2 m-20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 1.047 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 90.6 m -112.21 133.74 54.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 110.409 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.409 HG22 ' HD2' ' A' ' 18' ' ' PRO . 10.2 t -144.68 99.65 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.224 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -83.33 146.65 28.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -72.64 -165.48 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 111.042 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.457 ' HA3' ' CD1' ' A' ' 36' ' ' LEU . . . -34.72 131.61 0.53 Allowed Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.1 p -47.93 144.07 3.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.421 0.718 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -76.95 57.27 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.45 -71.62 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.003 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.29 38.34 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.562 1.164 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.99 114.77 7.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 0.748 . . . . 0.0 109.347 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.633 ' CD2' HD22 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -83.59 99.17 10.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.2 m -145.35 141.97 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.363 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.565 ' CE2' ' HG2' ' A' ' 91' ' ' MET . 72.1 m-85 -88.77 126.94 35.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 111.059 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.49 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 26.3 tt0 -141.06 131.27 13.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.885 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.6 Cg_endo -74.86 132.99 29.35 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.067 -0.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.425 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 39.3 t -42.51 -35.91 1.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.946 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.2 m -136.73 128.34 28.72 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.885 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -124.92 143.57 38.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.7 m -122.49 108.03 12.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.416 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.951 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.3 pt -116.99 -179.72 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.58 ' O ' HG13 ' A' ' 97' ' ' VAL . 3.7 mtmt -77.42 177.36 8.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.439 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . . . -100.65 98.57 9.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.65 -22.58 2.68 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.6 179.73 5.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 0.801 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.12 176.24 6.51 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.047 HG22 ' HB3' ' A' ' 3' ' ' ALA . 3.1 t -130.54 157.25 42.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.49 141.73 51.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.493 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 9.3 m-90 -111.96 159.36 18.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 107.973 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.9 t -139.22 111.98 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.578 1.174 . . . . 0.0 109.259 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -77.65 140.22 39.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -126.95 -87.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.3 mmtm -135.56 -179.18 5.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 109.35 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.633 HD22 ' CD2' ' A' ' 14' ' ' LEU . 0.6 OUTLIER 75.29 69.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.558 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -121.61 163.25 31.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.974 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.558 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.99 139.88 64.24 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.962 -2.516 . . . . 0.0 111.019 -0.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.563 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 1.6 m-70 -140.12 102.96 4.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.635 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.3 -179.96 4.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.883 HG21 ' NE2' ' A' ' 58' ' ' HIS . 5.0 mt -121.04 115.4 46.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -124.36 125.4 70.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.613 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 0.2 OUTLIER -96.54 101.51 13.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.951 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.954 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -78.9 107.36 11.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.86 96.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.4 m-20 -120.55 75.58 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.36 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.43 -27.09 9.67 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.9 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 1.0 OUTLIER -100.01 175.67 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 109.347 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.486 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -76.42 147.52 37.91 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.465 1.103 . . . . 0.0 109.229 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -64.0 -51.76 62.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.354 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.741 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -45.29 -55.21 6.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.569 HG21 ' OH ' ' A' ' 79' ' ' TYR . 17.8 m -58.99 -53.97 52.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.435 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.39 -21.05 33.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -67.49 -70.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -58.02 -29.99 65.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.37 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.73 HD13 ' OG ' ' A' ' 71' ' ' SER . 0.7 OUTLIER -68.59 -31.65 70.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.355 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.4 p -74.54 147.84 41.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.06 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.883 ' NE2' HG21 ' A' ' 41' ' ' ILE . 5.6 p80 -145.15 99.89 3.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.642 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 60' ' ' GLY . 11.0 mttt -70.06 -82.29 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.367 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.425 ' HA3' ' CZ ' ' A' ' 69' ' ' PHE . . . 47.94 98.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.522 HD12 ' CZ ' ' A' ' 63' ' ' PHE . 4.2 mm? -47.18 142.54 3.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 0.806 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -109.26 106.67 16.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.522 ' CZ ' HD12 ' A' ' 61' ' ' LEU . 21.7 m-85 -131.52 -44.94 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 111.055 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.79 146.87 24.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.075 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.44 128.3 34.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.19 15.21 10.0 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.58 103.72 15.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 0.791 . . . . 0.0 110.251 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 67.2 m -106.22 135.26 48.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.425 ' CZ ' ' HA3' ' A' ' 60' ' ' GLY . 17.9 m-85 -109.44 175.89 5.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 110.97 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 2.5 m -144.88 157.57 44.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.73 ' OG ' HD13 ' A' ' 56' ' ' LEU . 34.4 t -144.99 155.0 43.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.975 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.705 ' O ' HD11 ' A' ' 56' ' ' LEU . 2.5 m -105.91 109.95 22.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.914 ' CE2' HG21 ' A' ' 29' ' ' VAL . 6.8 m-30 -95.95 46.55 1.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.4 m -68.48 -64.67 0.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -61.2 123.21 74.83 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 125.45 9.32 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.527 1.804 . . . . 0.0 111.072 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 179.14 -142.73 5.44 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.2 m -144.02 108.64 4.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 0.797 . . . . 0.0 110.378 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.9 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 85.8 m-85 -105.61 135.2 47.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.1 m -110.66 115.58 29.84 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.565 1.166 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.609 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 33.9 p90 -114.94 137.49 51.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.954 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -145.51 -179.75 6.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.525 ' SG ' ' CE1' ' A' ' 39' ' ' HIS . 1.0 OUTLIER -95.69 116.38 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 108.366 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.477 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -37.08 -56.46 1.48 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.563 ' O ' ' CG ' ' A' ' 86' ' ' HIS . 18.1 Cg_endo -75.04 52.68 3.14 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.605 1.845 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.563 ' CG ' ' O ' ' A' ' 85' ' ' PRO . 1.4 m80 165.63 42.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 0.0 109.585 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.478 ' O ' ' CG ' ' A' ' 87' ' ' ARG . 19.0 ptt180 -90.69 121.1 32.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.43 28.44 55.52 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -106.3 -36.55 6.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.392 0.701 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 151.04 -36.61 0.88 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.565 ' HG2' ' CE2' ' A' ' 16' ' ' PHE . 0.8 OUTLIER -77.6 98.66 5.48 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.524 0.779 . . . . 0.0 110.991 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.547 HG12 ' N ' ' A' ' 93' ' ' GLY . 52.6 t -146.79 169.52 4.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.547 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -127.32 167.51 19.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.1 117.06 9.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 0.722 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.613 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 37.9 t -96.72 146.38 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.2 t -141.2 104.18 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.739 HG11 ' O ' ' A' ' 73' ' ' PHE . 15.8 t -107.63 140.59 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.1 t0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 1.016 ' HB2' HG21 ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.5 m -90.93 141.15 29.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.394 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.3 t -145.35 128.7 11.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.599 1.187 . . . . 0.0 109.225 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.93 143.17 49.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.413 1.07 . . . . 0.0 109.239 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.7 mtm -94.58 -90.5 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.441 ' O ' ' ND2' ' A' ' 34' ' ' ASN . . . -59.15 98.19 0.1 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 m -47.64 160.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 0.784 . . . . 0.0 109.994 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.95 66.38 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.11 -61.22 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.2 44.58 0.04 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.55 1.156 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.15 130.22 18.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.388 0.699 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.845 ' HB3' HD22 ' A' ' 36' ' ' LEU . 1.9 pt? -75.23 111.28 10.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.3 m -143.52 -179.95 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 43.6 m-85 -128.29 111.53 13.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.601 1.188 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.475 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.9 tt0 -145.01 130.14 9.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.773 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.5 Cg_endo -74.97 132.2 26.77 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.955 -2.519 . . . . 0.0 111.067 -0.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.421 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 95.5 p -57.34 -27.33 62.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 110.004 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -134.38 120.54 19.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.773 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -121.12 142.01 39.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.522 1.138 . . . . 0.0 109.336 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.463 HG23 HG12 ' A' ' 96' ' ' VAL . 91.3 m -132.88 100.21 4.84 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.498 1.124 . . . . 0.0 110.467 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 1.016 HG21 ' HB2' ' A' ' 3' ' ' ALA . 5.0 pt -112.82 -179.76 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -75.32 174.24 9.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.747 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -91.28 126.33 36.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.569 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 111.9 -22.87 18.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.819 ' HB3' HD12 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -74.9 -179.92 4.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 0.763 . . . . 0.0 110.266 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.404 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 7.3 pm0 -128.11 178.87 5.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.27 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.015 HG22 ' HB3' ' A' ' 3' ' ' ALA . 3.5 t -138.89 138.64 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.399 1.062 . . . . 0.0 109.366 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.92 131.94 56.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.463 ' O ' ' CB ' ' A' ' 68' ' ' SER . 12.1 m-90 -93.79 163.32 13.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 108.007 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.8 t -142.08 101.1 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 109.285 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -80.13 150.58 30.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.138 . . . . 0.0 109.355 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 8' ' ' GLY . 15.8 m-20 -124.87 -80.83 0.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.581 1.176 . . . . 0.0 109.282 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -129.69 -179.51 5.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.845 HD22 ' HB3' ' A' ' 14' ' ' LEU . 2.7 mp 71.01 50.96 0.3 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.558 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -95.46 163.39 21.64 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.17 . . . . 0.0 109.983 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 63' ' ' PHE . 18.2 Cg_endo -75.03 157.04 99.83 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.928 -2.53 . . . . 0.0 111.03 0.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.607 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 1.4 m-70 -124.2 110.54 14.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.597 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.483 ' OD1' HD13 ' A' ' 61' ' ' LEU . 6.1 m-20 -100.55 171.43 7.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 98.0 mt -143.55 99.06 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -108.82 122.71 63.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.684 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -94.75 102.88 14.78 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 111.043 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.845 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -78.54 130.69 36.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.361 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.84 100.49 0.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 109.336 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -132.77 55.57 1.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 134.54 -11.81 4.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.808 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -121.46 -179.74 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 0.0 109.252 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.544 ' H ' HG22 ' A' ' 48' ' ' VAL . 5.3 m-20 -75.79 168.57 19.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' ALA . . . -81.3 -64.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -45.43 -43.59 11.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.508 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -66.17 -34.62 78.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -79.52 -19.8 48.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -72.84 -45.28 59.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -43.0 87.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.91 HD11 ' O ' ' A' ' 72' ' ' THR . 4.4 mp -73.23 -24.92 60.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 3.6 m -75.87 151.55 37.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.064 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.496 ' CE1' ' O ' ' A' ' 70' ' ' THR . 55.8 m-70 -126.86 99.83 5.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.587 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -97.63 40.46 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -119.82 152.3 17.13 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 111.031 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.483 HD13 ' OD1' ' A' ' 40' ' ' ASN . 3.8 mm? -88.52 158.05 18.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 0.713 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.84 107.92 6.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.563 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 6.2 m-85 -119.14 46.19 1.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.12 122.66 15.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.588 1.18 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.2 113.77 3.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.4 26.43 5.67 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.566 1.166 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -76.4 141.85 41.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 0.755 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 4.1 p -145.11 122.6 11.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.944 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -96.69 176.11 6.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.068 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.496 ' O ' ' CE1' ' A' ' 58' ' ' HIS . 1.5 m -134.49 142.75 47.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.382 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.3 t -134.43 135.77 42.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.91 ' O ' HD11 ' A' ' 56' ' ' LEU . 5.5 m -85.65 115.13 23.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.412 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.558 ' CZ ' HG11 ' A' ' 95' ' ' VAL . 4.2 m-30 -102.22 61.96 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.954 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.569 HG22 ' HA2' ' A' ' 26' ' ' GLY . 2.2 p -87.17 -70.07 0.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.48 120.81 43.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.177 . . . . 0.0 110.326 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 100.02 1.32 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.541 1.811 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.77 -147.2 4.49 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.586 1.179 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.7 m -139.99 105.04 4.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 110.459 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.808 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 94.8 m-85 -98.63 145.0 27.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.9 p -125.53 111.35 14.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.432 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.573 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 34.7 p90 -112.01 139.44 47.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.845 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -138.58 179.49 6.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.489 ' HG ' ' CE1' ' A' ' 86' ' ' HIS . 0.1 OUTLIER -80.9 130.23 34.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 108.321 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.516 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -56.97 -50.72 86.56 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 110.388 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -75.0 -52.32 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.49 1.784 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.489 ' CE1' ' HG ' ' A' ' 83' ' ' CYS . 0.1 OUTLIER -87.79 44.75 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.609 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -64.38 -58.29 6.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -104.2 63.66 0.36 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -131.94 -46.34 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.283 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.38 45.68 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.575 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -143.08 98.99 3.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 0.805 . . . . 0.0 110.995 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.642 HG13 ' HB3' ' A' ' 82' ' ' TYR . 2.8 t -146.08 150.84 14.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -128.03 157.33 21.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.43 157.98 26.18 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.51 0.771 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.684 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 75.3 t -140.72 147.04 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.463 HG12 HG23 ' A' ' 22' ' ' THR . 3.9 t -145.21 103.8 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.495 HG22 ' CD2' ' A' ' 73' ' ' PHE . 62.8 t -95.28 140.16 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.747 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.962 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.1 m -76.09 129.34 36.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.16 . . . . 0.0 110.417 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.427 ' CG2' HG11 ' A' ' 21' ' ' VAL . 61.5 t -144.67 100.0 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.25 115.42 18.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.601 ' CE ' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -64.91 -28.65 69.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.163 . . . . 0.0 110.982 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.418 ' N ' ' HG2' ' A' ' 7' ' ' MET . . . -131.5 133.62 7.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.7 t -44.01 167.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 0.74 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.54 68.35 1.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.5 t 67.15 99.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.005 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.87 -67.53 0.16 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.09 167.33 22.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 0.774 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.473 HD13 ' CE1' ' A' ' 86' ' ' HIS . 0.5 OUTLIER -97.93 101.31 12.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.1 m -144.48 140.35 24.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.08 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.596 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 59.2 m-85 -79.79 118.84 21.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 17.0 tt0 -145.2 129.13 8.69 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 110.282 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.776 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.05 132.4 27.45 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.006 -2.497 . . . . 0.0 110.984 0.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.417 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 92.7 p -53.87 -33.26 55.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.085 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 m -126.35 117.51 23.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 110.362 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.776 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -121.64 140.79 44.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 m -133.34 100.75 4.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.376 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.902 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.5 pt -108.48 -178.75 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.05 176.58 6.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.74 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -96.7 118.45 33.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.649 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 120.19 -26.8 6.93 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -75.92 178.77 5.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 0.723 . . . . 0.0 110.293 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.44 172.85 9.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.962 HG22 ' HB3' ' A' ' 3' ' ' ALA . 2.5 t -129.87 143.83 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.92 158.35 17.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.498 ' O ' ' CB ' ' A' ' 68' ' ' SER . 7.5 m-90 -127.76 105.92 8.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.013 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 82.9 t -81.06 111.76 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -79.0 110.47 14.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -95.91 -84.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.783 ' C ' HD22 ' A' ' 36' ' ' LEU . 14.9 mmtt -135.44 178.51 6.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.783 HD22 ' C ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER 75.02 29.95 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.53 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -85.27 162.7 47.97 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.582 1.176 . . . . 0.0 110.017 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.581 ' HG3' ' CZ ' ' A' ' 63' ' ' PHE . 18.1 Cg_endo -75.04 156.97 99.85 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.941 -2.525 . . . . 0.0 111.003 -0.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 2.2 m-70 -129.23 112.82 14.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.602 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -98.46 161.83 13.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.757 HD13 ' CE1' ' A' ' 58' ' ' HIS . 3.6 mp -126.22 101.37 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.492 HG13 ' HG3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -106.24 108.53 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.701 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -86.3 102.1 13.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.83 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -79.96 103.66 10.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.411 1.07 . . . . 0.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.485 ' HB2' ' HA ' ' A' ' 50' ' ' ALA . . . -39.94 97.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -123.89 75.81 1.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.83 -32.04 6.02 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.963 HG11 ' CD2' ' A' ' 79' ' ' TYR . 2.2 p -96.09 -179.83 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.639 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -75.96 143.97 41.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.238 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.485 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . . . -63.03 -55.68 23.53 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.812 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -44.45 -48.77 9.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.713 HG21 ' OH ' ' A' ' 79' ' ' TYR . 24.1 m -57.82 -59.06 5.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.74 -15.89 34.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.402 1.064 . . . . 0.0 109.347 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.812 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -64.26 -59.54 4.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -37.45 66.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.672 HD13 HG22 ' A' ' 52' ' ' THR . 0.1 OUTLIER -57.03 -24.68 55.55 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.13 . . . . 0.0 109.25 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 80.4 p -87.5 131.89 34.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.757 ' CE1' HD13 ' A' ' 41' ' ' ILE . 3.2 p80 -130.71 101.69 5.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 109.622 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.492 ' HG3' HG13 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -70.96 -74.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 45.97 -154.7 0.65 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.461 ' HG ' ' CB ' ' A' ' 38' ' ' PRO . 3.4 tp -179.0 93.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.562 0.801 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.51 142.86 27.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.581 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 10.7 m-85 -131.1 21.98 4.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -135.72 139.08 43.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.26 77.11 10.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.238 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -171.2 -39.19 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 111.037 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -74.64 144.53 43.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 0.723 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 12.8 p -138.84 133.24 31.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.967 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.517 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 12.1 m-85 -76.13 174.42 10.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 12.1 m -145.35 155.43 43.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.0 t -144.93 146.48 32.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.939 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.644 ' O ' HD11 ' A' ' 56' ' ' LEU . 87.0 m -88.14 112.66 22.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 0.0 110.369 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.685 ' CD2' HD11 ' A' ' 23' ' ' ILE . 4.6 m-30 -103.0 46.81 0.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 111.056 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.649 HG22 ' HA2' ' A' ' 26' ' ' GLY . 2.0 p -75.5 -70.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.12 119.8 12.91 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 100.64 1.38 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.415 1.745 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.71 -142.31 3.42 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.111 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 78' ' ' THR . 15.0 t -145.18 110.95 5.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 110.416 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.963 ' CD2' HG11 ' A' ' 48' ' ' VAL . 87.0 m-85 -107.46 138.56 43.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.6 m -115.11 115.41 26.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.414 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.585 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 28.0 p90 -118.39 133.28 56.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.83 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -140.3 -179.46 6.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.963 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.513 ' SG ' ' CE1' ' A' ' 39' ' ' HIS . 0.1 OUTLIER -79.45 138.93 37.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 108.341 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.523 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -65.05 -50.45 61.64 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -74.97 -49.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.473 ' CE1' HD13 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -87.83 45.04 1.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.595 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.69 -1.31 55.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -145.11 50.84 0.63 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -135.95 -46.9 0.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 146.22 47.82 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.466 1.104 . . . . 0.0 111.026 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.596 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -138.28 99.62 3.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 0.793 . . . . 0.0 111.081 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.543 HG12 ' N ' ' A' ' 93' ' ' GLY . 42.4 t -145.71 169.36 6.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.543 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -146.84 138.21 7.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -110.67 134.14 52.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.375 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.701 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 70.5 t -114.12 147.23 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.289 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.3 t -144.92 100.09 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.595 1.184 . . . . 0.0 109.247 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.671 HG11 ' O ' ' A' ' 73' ' ' PHE . 42.0 t -92.0 138.2 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.74 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 1.09 ' HB2' HG21 ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.3 m -91.63 134.86 34.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.776 HG11 ' OH ' ' A' ' 81' ' ' TYR . 53.8 t -144.5 109.02 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.43 141.01 35.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.239 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -89.5 29.0 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.4 -141.03 3.22 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.462 1.101 . . . . 0.0 111.062 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.423 ' OG ' ' CG2' ' A' ' 15' ' ' VAL . 53.5 m -155.34 142.08 18.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 0.776 . . . . 0.0 110.002 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -74.51 58.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 t -153.62 -70.73 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.08 . . . . 0.0 109.966 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.59 42.46 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.559 1.162 . . . . 0.0 110.96 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.1 128.86 17.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 0.744 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.486 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -80.86 100.13 8.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.416 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.423 ' CG2' ' OG ' ' A' ' 9' ' ' SER . 26.8 m -145.06 138.98 22.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.598 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 40.7 m-85 -82.87 112.3 19.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.467 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 7.0 tt0 -144.11 131.86 10.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.271 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.663 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.95 132.06 26.26 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.003 -0.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.435 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 35.6 p -55.63 -36.12 66.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 m -122.85 128.12 49.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.364 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.663 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.2 m -134.05 143.57 37.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.6 m -129.01 111.0 12.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.409 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 1.09 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.7 pt -116.16 -179.49 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -74.49 173.33 10.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.802 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -99.31 105.46 17.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.435 1.084 . . . . 0.0 109.245 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 129.24 -6.19 6.34 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.422 1.076 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.53 -179.7 5.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 0.777 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.468 ' N ' ' CD ' ' A' ' 28' ' ' GLU . 6.4 mp0 -116.99 -179.96 3.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 110.349 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.942 HG22 ' HB3' ' A' ' 3' ' ' ALA . 9.5 t -139.33 150.7 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -117.18 156.35 27.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.698 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 5.8 m-90 -135.58 102.39 5.1 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 82.2 t -87.38 145.77 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -109.61 150.5 28.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -128.09 -79.16 0.58 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.223 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -140.33 175.0 9.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.593 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.3 OUTLIER 78.53 52.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.53 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -98.93 162.01 22.96 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.008 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.53 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.04 160.97 95.75 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 120.94 -2.525 . . . . 0.0 111.025 -0.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -138.83 122.81 17.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.653 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.455 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -109.92 -179.63 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.342 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.731 HG22 ' CE1' ' A' ' 43' ' ' PHE . 43.2 mt -141.6 103.48 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.613 HG13 ' HG2' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -107.48 133.28 52.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.731 ' CE1' HG22 ' A' ' 41' ' ' ILE . 3.0 m-85 -104.88 106.52 17.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -84.63 111.31 19.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.181 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.12 96.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -122.7 77.28 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.36 -27.55 8.87 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.816 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -96.17 177.64 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.47 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -77.33 128.46 34.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.1 -62.14 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.321 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.802 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -45.58 -62.62 1.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.522 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 2.0 m -42.6 -62.36 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.382 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.694 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -56.71 -26.71 57.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.802 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -62.67 -42.83 99.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -16.26 61.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.881 HD21 ' O ' ' A' ' 72' ' ' THR . 0.3 OUTLIER -105.4 0.4 26.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.544 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -87.71 111.5 21.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 110.06 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.807 ' CE1' ' CD1' ' A' ' 69' ' ' PHE . 5.1 m-70 -87.69 170.54 11.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.598 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.613 ' HG2' HG13 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -179.46 60.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.57 ' C ' HD22 ' A' ' 61' ' ' LEU . . . -106.06 171.94 18.37 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.453 1.096 . . . . 0.0 111.052 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.57 HD22 ' C ' ' A' ' 60' ' ' GLY . 3.6 mm? -121.44 75.05 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.421 0.718 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.5 145.61 36.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.539 ' CZ ' ' O ' ' A' ' 61' ' ' LEU . 4.7 m-85 -135.14 -44.03 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.83 128.69 35.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.3 86.02 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.89 -35.56 0.08 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -75.19 126.29 30.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 0.748 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.7 m -125.3 144.72 50.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.032 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.807 ' CD1' ' CE1' ' A' ' 58' ' ' HIS . 1.6 m-85 -92.33 168.99 10.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 95.1 m -140.57 157.96 44.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.359 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.414 ' OG ' ' CE1' ' A' ' 73' ' ' PHE . 2.0 p -143.96 173.5 11.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 109.954 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.881 ' O ' HD21 ' A' ' 56' ' ' LEU . 3.3 m -116.87 117.6 30.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.416 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.84 ' CE2' HG21 ' A' ' 29' ' ' VAL . 4.9 m-30 -105.72 65.08 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.6 p -87.75 -51.61 5.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.398 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.23 120.25 78.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 106.88 2.36 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.803 . . . . 0.0 111.052 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -169.2 -151.21 7.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.4 m -126.25 137.57 53.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 110.37 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.816 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 88.3 m-85 -129.62 98.65 4.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 54.9 m -80.94 105.98 12.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.444 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.776 ' OH ' HG11 ' A' ' 5' ' ' VAL . 20.4 p90 -117.38 118.81 33.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.582 1.176 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.96 ' HB3' HG13 ' A' ' 92' ' ' VAL . 0.4 OUTLIER -117.55 -179.37 3.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.404 ' SG ' ' CE1' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -84.12 127.47 33.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 108.328 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.499 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -53.81 -51.8 73.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -75.02 -52.75 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -89.02 44.26 1.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.397 1.06 . . . . 0.0 109.619 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -64.67 -58.06 7.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.27 65.83 0.24 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.22 -48.5 0.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 0.732 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 151.13 43.89 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -145.3 99.31 3.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.764 . . . . 0.0 110.966 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.96 HG13 ' HB3' ' A' ' 82' ' ' TYR . 3.4 t -145.76 157.27 12.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.567 ' O ' ' CD1' ' A' ' 81' ' ' TYR . . . -139.79 123.96 2.6 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.552 1.158 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.91 109.48 22.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.604 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 2.2 t -86.97 147.53 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.407 1.067 . . . . 0.0 109.362 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.4 t -140.27 136.66 37.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.558 1.162 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.562 HG22 ' CD2' ' A' ' 73' ' ' PHE . 97.8 t -123.07 139.64 49.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.229 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.802 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.568 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.4 m -143.31 141.72 31.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.732 HG11 ' OH ' ' A' ' 81' ' ' TYR . 48.3 t -136.06 119.62 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.361 1.038 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -92.98 129.23 38.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 0.0 109.389 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.667 ' CG ' HD11 ' A' ' 41' ' ' ILE . 16.4 mtm -44.53 -73.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.3 -158.87 34.99 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.511 ' HB2' HG22 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -120.13 152.18 38.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 0.727 . . . . 0.0 110.01 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.71 66.17 1.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -154.68 -80.83 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.39 1.056 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.8 39.29 0.03 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.33 152.38 39.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.409 0.711 . . . . 0.0 109.338 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.708 HD12 ' HG3' ' A' ' 91' ' ' MET . 0.8 OUTLIER -88.42 99.69 12.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.511 HG22 ' HB2' ' A' ' 9' ' ' SER . 29.4 m -143.26 135.47 24.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.597 ' CD2' ' HE2' ' A' ' 91' ' ' MET . 39.3 m-85 -90.03 115.13 27.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.501 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 11.0 tt0 -143.76 134.46 12.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.327 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.676 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -74.95 133.9 33.47 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.996 -0.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.421 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 89.5 p -55.64 -30.61 61.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.954 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 m -133.24 136.84 45.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.369 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.676 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -139.6 152.15 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.754 HG23 HG12 ' A' ' 96' ' ' VAL . 15.6 m -139.85 114.9 9.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 110.434 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.642 HD11 ' CD2' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -124.49 -178.98 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -74.23 173.62 9.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.68 113.58 25.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.18 -22.85 6.62 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.12 179.58 4.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 0.762 . . . . 0.0 110.267 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.413 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 22.1 pm0 -123.75 170.13 10.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.776 HG21 ' CE2' ' A' ' 73' ' ' PHE . 44.4 t -136.53 132.03 48.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -98.75 162.42 13.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.683 ' CD1' HD13 ' A' ' 41' ' ' ILE . 3.5 m-90 -125.97 172.72 9.7 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.4 t -143.59 140.22 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.405 ' ND2' ' HB1' ' A' ' 62' ' ' ALA . 0.3 OUTLIER -77.61 140.85 39.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 9' ' ' SER . 4.4 t-20 -135.02 -179.53 5.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -74.76 -178.84 3.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.652 HD22 ' N ' ' A' ' 36' ' ' LEU . 1.1 mm? 69.13 67.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.535 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -99.09 162.2 22.22 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.989 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.535 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.01 163.21 91.24 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.019 -2.492 . . . . 0.0 111.011 0.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.618 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -141.62 99.66 3.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.482 1.114 . . . . 0.0 109.663 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -99.43 174.1 6.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.683 HD13 ' CD1' ' A' ' 31' ' ' TRP . 96.5 mt -144.85 99.15 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 109.251 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.2 p -127.33 115.57 40.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.664 ' CD1' ' HB3' ' A' ' 79' ' ' TYR . 10.3 m-85 -71.74 143.71 49.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.773 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -110.13 106.76 16.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.49 96.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.4 m-20 -125.89 70.95 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.168 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.64 -10.6 27.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.039 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -110.8 -178.69 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.579 0.811 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.519 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -74.58 172.64 11.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.94 -63.51 1.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.64 -27.04 36.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.234 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.545 HG22 ' OH ' ' A' ' 79' ' ' TYR . 75.8 m -73.8 -51.31 16.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.597 1.186 . . . . 0.0 110.449 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.518 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -72.01 -11.5 60.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.1 -56.54 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -65.59 -27.82 68.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.628 HD11 ' O ' ' A' ' 72' ' ' THR . 0.5 OUTLIER -76.52 -25.79 54.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.6 p -86.36 158.55 19.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.062 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 76.4 m-70 -123.19 141.22 52.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.123 . . . . 0.0 109.595 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -122.03 56.18 1.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -124.53 -150.94 7.98 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.558 1.161 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.1 mp -138.77 -177.55 4.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 0.725 . . . . 0.0 109.32 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.405 ' HB1' ' ND2' ' A' ' 33' ' ' ASN . . . -145.08 98.57 3.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -129.28 -52.1 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.63 115.8 15.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.62 98.11 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 152.68 -21.55 0.81 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 111.06 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -74.88 122.79 23.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 0.746 . . . . 0.0 110.343 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.7 m -125.79 159.59 31.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.963 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.552 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 19.1 m-30 -122.13 167.02 13.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.409 1.068 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.425 ' O ' ' NE2' ' A' ' 58' ' ' HIS . 2.4 m -140.28 150.32 43.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.368 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.441 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 2.8 t -139.97 131.64 27.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.977 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.628 ' O ' HD11 ' A' ' 56' ' ' LEU . 7.2 m -76.14 116.63 17.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.776 ' CE2' HG21 ' A' ' 29' ' ' VAL . 4.6 m-30 -98.17 49.43 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.9 m -74.6 -70.12 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.414 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -53.17 118.51 14.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.271 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 100.31 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 0.0 111.04 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -158.81 -143.55 3.69 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.473 1.108 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 46' ' ' ASP . 6.1 t -132.51 140.02 48.16 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.445 0.732 . . . . 0.0 110.376 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 1.039 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 90.9 m-85 -138.67 120.83 15.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 80' ' ' THR . 0.7 OUTLIER -108.7 113.14 25.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.432 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.732 ' OH ' HG11 ' A' ' 5' ' ' VAL . 31.2 p90 -108.27 139.79 42.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.773 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -145.15 -179.75 6.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 111.018 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 87' ' ' ARG . 0.6 OUTLIER -81.89 113.09 19.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 108.257 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.533 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -43.27 -49.81 15.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.99 -43.41 0.4 Allowed 'Trans proline' 0 C--N 1.362 1.241 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.449 ' N ' ' CD2' ' A' ' 86' ' ' HIS . 0.2 OUTLIER -99.04 48.29 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.621 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 83' ' ' CYS . 9.6 ptt180 -84.71 1.84 44.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.52 1.137 . . . . 0.0 110.279 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -150.46 64.54 0.39 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.462 1.101 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -145.11 -46.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.238 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 146.63 44.25 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.708 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -145.28 98.96 3.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.77 . . . . 0.0 111.014 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.508 ' CG2' ' N ' ' A' ' 93' ' ' GLY . 0.2 OUTLIER -146.76 164.35 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.534 ' HA3' ' CE1' ' A' ' 81' ' ' TYR . . . -140.96 154.7 24.59 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -120.08 159.08 25.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 0.735 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.411 HG13 ' CE2' ' A' ' 73' ' ' PHE . 7.2 t -141.34 145.77 24.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.423 1.077 . . . . 0.0 109.358 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.754 HG12 HG23 ' A' ' 22' ' ' THR . 4.0 t -139.05 119.33 14.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.601 HG11 ' O ' ' A' ' 73' ' ' PHE . 78.3 t -110.17 129.93 64.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.939 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 1.071 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 84.6 m -143.97 104.28 4.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.367 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.563 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 85.9 t -103.9 152.84 6.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 pttm -127.75 117.53 22.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.365 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.57 ' SD ' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -75.3 119.09 18.95 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.26 107.87 0.05 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.2 p -45.01 153.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.749 . . . . 0.0 110.028 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -75.19 58.9 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.249 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 t -145.02 -66.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.0 43.11 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.72 136.48 25.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 0.797 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.669 HD12 ' HG3' ' A' ' 91' ' ' MET . 1.0 OUTLIER -88.25 100.38 12.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 m -144.12 132.33 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -80.42 110.95 16.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.602 1.189 . . . . 0.0 111.054 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.488 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -142.5 130.28 11.37 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.712 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -75.04 132.53 27.87 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.926 -2.531 . . . . 0.0 110.986 -0.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.426 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 83.5 p -54.93 -35.15 63.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.7 m -125.11 118.96 27.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.399 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.712 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -121.82 129.75 75.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.8 m -113.81 107.71 16.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.391 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 1.022 HG21 ' HB2' ' A' ' 3' ' ' ALA . 5.2 pt -116.29 -179.44 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -74.93 177.0 6.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.434 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -97.13 88.7 4.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.24 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 142.03 -13.03 2.6 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.554 1.159 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.414 ' HB3' HD12 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -74.57 -179.81 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.248 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.497 ' CG ' ' N ' ' A' ' 29' ' ' VAL . 16.1 tt0 -121.98 159.72 26.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.215 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.071 HG22 ' HB3' ' A' ' 3' ' ' ALA . 64.7 t -125.81 114.18 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -90.13 145.48 25.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.363 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.563 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 2.8 m-90 -123.32 144.96 49.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 108.011 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.5 t -127.5 138.43 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -101.58 129.01 47.59 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -115.2 -83.45 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.412 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -122.51 179.92 4.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.327 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.642 HD22 ' N ' ' A' ' 36' ' ' LEU . 0.5 OUTLIER 59.68 62.06 1.81 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.603 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -106.49 165.14 13.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.03 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.603 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.11 164.3 88.67 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.927 -2.531 . . . . 0.0 110.954 0.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.545 ' CD2' ' HB3' ' A' ' 7' ' ' MET . 1.6 m-70 -125.0 122.19 36.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.552 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 58' ' ' HIS . 20.7 t-20 -110.92 169.38 8.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.57 HD11 ' SD ' ' A' ' 7' ' ' MET . 56.0 mt -142.53 98.23 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.469 ' CG1' ' HG2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -110.47 130.54 63.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.253 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.762 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 0.7 OUTLIER -92.75 91.64 7.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 111.013 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.501 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -74.63 103.55 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.48 ' HB2' ' HA ' ' A' ' 50' ' ' ALA . . . -44.19 97.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 44' ' ' ALA . 2.7 m-20 -115.56 68.97 0.72 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.13 -22.34 27.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.943 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 2.5 p -92.46 -179.88 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.645 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -75.15 132.29 41.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.27 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.48 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . . . -59.7 -37.68 79.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.87 -40.18 91.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.69 HG21 ' OH ' ' A' ' 79' ' ' TYR . 12.6 m -69.44 -51.28 37.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.41 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.762 ' HB1' ' O ' ' A' ' 43' ' ' PHE . . . -59.48 -26.21 65.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.73 -39.31 80.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -75.8 -42.43 50.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.6 ' HB3' ' CE2' ' A' ' 43' ' ' PHE . 7.2 mp -78.71 0.5 26.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 1.1 m -92.06 146.53 23.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.453 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 46.6 m-70 -136.34 100.19 4.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.597 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 24.8 mttt -101.27 9.96 41.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.45 -60.57 8.3 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.54 HD22 ' HB2' ' A' ' 38' ' ' PRO . 0.4 OUTLIER 80.04 131.7 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -121.86 134.97 54.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 109.229 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.485 ' HE1' HD13 ' A' ' 61' ' ' LEU . 6.2 m-30 -110.51 34.84 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.69 159.6 41.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -101.46 98.92 9.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 155.85 -24.72 0.56 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.525 1.141 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -75.02 134.75 41.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 110.316 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 3.6 m -118.89 179.18 4.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.046 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.612 ' CD1' ' N ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -136.26 149.21 48.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 p -129.87 145.42 51.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 31.4 t -139.4 142.06 37.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.997 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.1 m -96.78 113.78 25.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 110.369 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.662 ' HB2' HD11 ' A' ' 23' ' ' ILE . 4.8 m-30 -96.78 64.55 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 45.7 m -81.6 -55.25 4.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.365 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -73.12 128.2 88.11 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.428 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.2 Cg_endo -74.99 126.84 10.23 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 167.43 -170.22 41.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.103 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.2 m -114.86 126.45 54.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 110.446 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.943 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 96.8 m-85 -116.44 101.41 8.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.3 m -75.71 93.56 3.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 20.7 p90 -104.28 131.97 51.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.612 ' HB3' HG13 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -135.02 179.99 5.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 110.974 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.408 ' SG ' ' ND1' ' A' ' 39' ' ' HIS . 0.1 OUTLIER -78.86 129.81 34.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 108.286 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.4 OUTLIER -56.12 -52.21 74.52 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -75.04 -48.64 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.495 1.787 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.99 54.25 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.569 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.04 -57.91 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.17 67.57 0.54 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.49 -47.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 144.51 44.91 0.04 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.669 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -143.81 99.28 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 0.799 . . . . 0.0 110.954 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.612 HG13 ' HB3' ' A' ' 82' ' ' TYR . 40.1 t -145.99 158.88 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -129.33 161.54 22.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -133.13 99.2 4.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 0.764 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.595 HG13 ' CE2' ' A' ' 73' ' ' PHE . 2.4 t -77.94 151.54 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.6 t -145.0 103.19 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.357 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.589 HG22 ' CD2' ' A' ' 73' ' ' PHE . 30.0 t -90.03 143.45 11.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.434 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 26.1 t70 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 1.016 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 54.4 m -90.78 128.47 36.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.365 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.641 HG22 ' HD2' ' A' ' 18' ' ' PRO . 70.8 t -136.69 102.95 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -76.66 147.28 37.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.71 ' SD ' HD11 ' A' ' 41' ' ' ILE . 54.3 mtm -110.95 40.88 1.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 150.0 106.98 0.39 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.435 1.084 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.3 p -41.3 155.92 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 110.074 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -75.78 60.32 1.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.219 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.5 t -148.93 -69.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.06 46.8 0.02 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.514 1.134 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.23 121.79 14.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 0.762 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.02 101.58 7.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.4 m -143.09 137.5 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.436 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 20.4 m-85 -85.63 103.46 14.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -133.8 127.78 19.53 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.568 1.168 . . . . 0.0 110.209 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.811 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.96 137.79 52.33 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.032 -0.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.9 p -60.44 -22.97 64.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.5 m -140.27 127.4 20.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.381 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.811 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -130.72 147.04 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.43 1.082 . . . . 0.0 109.345 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.3 m -132.06 100.01 4.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.858 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.1 pp -108.36 -179.38 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.577 ' O ' HD12 ' A' ' 23' ' ' ILE . 32.5 mmtp -78.46 175.36 10.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.242 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.4 115.8 27.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.67 -19.96 8.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.426 1.079 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.76 175.39 8.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 0.0 110.334 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -116.45 176.1 5.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.016 HG22 ' HB3' ' A' ' 3' ' ' ALA . 3.9 t -144.88 142.56 22.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.426 ' CG ' ' HB2' ' A' ' 68' ' ' SER . 2.0 ttpt -115.28 155.31 27.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.452 ' CH2' ' HB3' ' A' ' 71' ' ' SER . 10.6 m-90 -129.45 108.32 10.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 6.6 p -89.75 137.92 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 46.0 p30 -103.45 166.54 10.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -146.9 -66.71 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.486 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -145.28 -179.14 6.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.577 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 2.2 mm? 67.66 47.91 1.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.57 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -95.77 164.44 18.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 110.025 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.57 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.06 159.13 98.4 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 120.943 -2.524 . . . . 0.0 110.993 0.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 2.2 m-70 -125.45 99.62 6.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.646 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -90.82 171.18 9.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.71 HD11 ' SD ' ' A' ' 7' ' ' MET . 66.4 mt -140.28 99.35 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -114.02 105.94 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.683 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 0.6 OUTLIER -77.23 104.9 8.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.406 1.066 . . . . 0.0 111.019 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.996 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -82.45 108.76 16.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' ALA . . . -40.08 96.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 44' ' ' ALA . 18.6 m-20 -124.46 63.45 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.38 -24.31 5.9 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.948 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -102.54 177.29 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.768 . . . . 0.0 109.273 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.484 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -74.6 141.37 44.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.231 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -61.0 -41.46 96.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.585 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 7.5 m-20 -62.09 -60.11 4.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.504 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -53.21 -36.18 60.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.419 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.571 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -79.6 -21.02 45.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.217 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -60.55 -39.91 89.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -79.41 -55.57 4.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.614 HD12 ' CE1' ' A' ' 79' ' ' TYR . 5.0 mt -49.79 -34.21 18.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 77.8 p -78.44 141.97 37.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.037 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.509 ' O ' HG13 ' A' ' 42' ' ' VAL . 21.3 m-70 -108.04 179.64 4.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 109.586 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -173.39 34.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.28 -123.72 4.85 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.583 1.177 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 tp -171.79 157.83 4.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 0.783 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.22 110.91 7.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.533 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 9.1 m-85 -136.27 38.18 2.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 111.043 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.404 ' HB3' ' HG3' ' A' ' 67' ' ' GLU . . . -145.31 117.15 8.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.63 101.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 118.1 39.47 0.75 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.404 ' HG3' ' HB3' ' A' ' 64' ' ' ALA . 0.1 OUTLIER -119.71 102.49 8.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 110.302 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.426 ' HB2' ' CG ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -111.74 138.34 48.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.994 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -89.64 177.96 6.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.1 m -141.32 151.58 43.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 1.072 . . . . 0.0 110.428 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.452 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 7.3 t -144.97 143.63 30.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.999 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.527 ' O ' HD21 ' A' ' 56' ' ' LEU . 21.1 m -94.11 114.82 27.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.341 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.64 ' CB ' HD11 ' A' ' 23' ' ' ILE . 4.5 m-30 -97.24 50.98 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -72.6 -70.28 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.72 123.77 76.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 118.72 5.37 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.498 1.788 . . . . 0.0 111.041 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.64 -149.14 6.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 m -137.89 101.47 4.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 110.463 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.948 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 94.9 m-85 -98.54 131.87 44.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.2 m -109.32 117.85 35.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.402 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.58 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 31.7 p90 -114.93 141.3 48.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.996 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -144.11 179.86 6.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 111.004 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 1.055 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 3.5 m -88.86 124.92 34.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.581 1.176 . . . . 0.0 108.265 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.479 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 2.2 mt-10 -42.96 -52.57 11.38 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.523 ' HG2' ' CE1' ' A' ' 86' ' ' HIS . 18.2 Cg_endo -74.98 -30.38 7.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.523 ' CE1' ' HG2' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -116.35 68.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.143 . . . . 0.0 109.599 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.27 -50.14 4.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.294 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -110.61 48.17 0.97 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -111.67 -36.96 5.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 146.34 -30.29 1.6 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.103 . . . . 0.0 111.029 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 1.055 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.1 OUTLIER -80.95 101.16 9.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 0.796 . . . . 0.0 111.019 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.958 HG13 ' HB3' ' A' ' 82' ' ' TYR . 2.6 t -145.31 156.62 13.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.455 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -118.19 171.63 14.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.11 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.98 128.93 20.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.683 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 76.2 t -106.09 145.03 14.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.5 t -142.73 100.96 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.417 HG22 ' CD2' ' A' ' 73' ' ' PHE . 61.0 t -94.1 145.37 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.546 1.154 . . . . 0.0 109.366 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.993 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.3 m -119.1 141.91 48.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.139 . . . . 0.0 110.365 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.625 HG22 ' HD2' ' A' ' 18' ' ' PRO . 38.8 t -139.8 119.21 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.0 120.81 40.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.633 ' HE3' ' HB3' ' A' ' 39' ' ' HIS . 53.2 mtm -92.54 75.86 5.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 127.25 109.08 1.55 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.9 p -40.66 152.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 0.732 . . . . 0.0 109.979 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -74.94 61.57 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.76 -57.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.041 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.98 50.98 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.4 ' O ' HG22 ' A' ' 15' ' ' VAL . . . -136.6 126.89 26.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 0.719 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.729 HD13 ' CD2' ' A' ' 86' ' ' HIS . 3.2 pp -74.5 99.72 3.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 13' ' ' ALA . 3.1 m -145.84 145.93 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.637 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 2.8 m-85 -94.0 116.93 29.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.531 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -144.35 139.43 15.7 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.338 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.886 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.02 134.37 35.64 Favored 'Cis proline' 0 C--N 1.359 1.106 0 C-N-CA 121.03 -2.487 . . . . 0.0 110.952 0.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.433 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 13.8 t -49.83 -30.5 9.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -135.95 123.36 22.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.886 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -123.98 133.16 70.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 m -131.11 108.59 9.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.439 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.933 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.1 pt -120.02 -179.85 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.528 ' O ' HD12 ' A' ' 23' ' ' ILE . 17.7 mmtt -78.65 175.4 10.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.28 131.02 38.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.23 -25.54 21.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.21 179.7 4.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 0.74 . . . . 0.0 110.331 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -127.3 171.14 11.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.993 HG22 ' HB3' ' A' ' 3' ' ' ALA . 3.2 t -126.68 162.74 30.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.447 1.092 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.48 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 7.9 ttmt -133.06 141.86 48.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.643 ' CZ3' ' NE2' ' A' ' 58' ' ' HIS . 7.1 m-90 -111.3 160.05 17.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 108.008 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 5' ' ' VAL . 32.9 t -145.16 111.77 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.374 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.785 ' ND2' ' HB1' ' A' ' 62' ' ' ALA . 66.6 t30 -74.69 161.16 29.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -137.8 -86.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -138.14 -179.34 5.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.412 1.07 . . . . 0.0 109.352 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.602 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 2.8 mm? 68.4 39.36 2.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.628 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -77.51 167.31 37.31 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.025 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.628 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.01 167.37 80.64 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.984 0.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.633 ' HB3' ' HE3' ' A' ' 7' ' ' MET . 2.3 m-70 -140.38 100.32 3.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 109.552 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -105.91 161.81 14.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.668 HD13 ' CE1' ' A' ' 58' ' ' HIS . 2.1 mp -114.16 112.93 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.542 HG13 ' HG2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -120.36 101.63 11.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.618 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -80.22 97.99 7.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.525 1.141 . . . . 0.0 111.039 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.886 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -74.69 102.75 4.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.66 ' HB2' ' HA ' ' A' ' 50' ' ' ALA . . . -39.3 97.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 44' ' ' ALA . 10.7 t70 -125.9 75.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.27 -29.75 6.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.971 HG11 ' CD1' ' A' ' 79' ' ' TYR . 2.4 p -99.87 -179.55 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.529 0.782 . . . . 0.0 109.357 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.65 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -74.62 136.17 41.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.66 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . . . -58.55 -52.0 67.5 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.647 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -50.72 -47.37 59.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.373 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.609 HG21 ' OH ' ' A' ' 79' ' ' TYR . 85.7 m -59.63 -50.36 74.16 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.418 1.074 . . . . 0.0 110.374 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.64 -16.8 64.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -68.13 -44.77 75.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -81.61 -44.18 17.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.53 HD12 ' CE1' ' A' ' 79' ' ' TYR . 3.4 mt -56.44 -18.44 11.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 86.3 p -90.23 149.73 22.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.975 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.668 ' CE1' HD13 ' A' ' 41' ' ' ILE . 1.4 p80 -144.76 99.57 3.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.515 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.542 ' HG2' HG13 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -80.44 54.67 2.09 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.541 ' HA3' ' CZ ' ' A' ' 69' ' ' PHE . . . -86.96 128.1 8.76 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.461 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 4.2 mm? -79.74 123.66 27.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 0.782 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.785 ' HB1' ' ND2' ' A' ' 33' ' ' ASN . . . -89.24 100.55 13.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 6.4 m-85 -121.09 -40.96 2.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.573 1.17 . . . . 0.0 111.062 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.79 118.55 30.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.7 98.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.246 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 134.13 44.63 0.12 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.4 111.24 16.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 0.735 . . . . 0.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.5 p -112.07 139.07 47.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.962 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.541 ' CZ ' ' HA3' ' A' ' 60' ' ' GLY . 29.8 m-85 -106.21 175.24 5.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.689 HG23 ' O ' ' A' ' 29' ' ' VAL . 10.5 m -144.89 151.86 39.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.569 1.168 . . . . 0.0 110.415 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.419 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 8.1 t -141.27 135.59 30.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.172 . . . . 0.0 109.97 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.578 ' CG2' HG23 ' A' ' 74' ' ' THR . 13.1 m -81.06 118.84 22.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.354 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.602 ' CB ' HD11 ' A' ' 23' ' ' ILE . 4.0 m-30 -104.58 50.1 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.578 HG23 ' CG2' ' A' ' 72' ' ' THR . 2.5 p -73.99 -69.26 0.45 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.64 119.19 41.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.275 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 111.38 3.31 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.462 1.769 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -157.3 -140.58 2.97 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 86.4 m -144.93 93.17 2.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 0.73 . . . . 0.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.971 ' CD1' HG11 ' A' ' 48' ' ' VAL . 94.5 m-85 -90.83 135.55 33.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.077 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 21.1 m -116.18 112.6 21.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 110.436 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.586 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 32.3 p90 -114.56 142.84 45.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.886 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -145.4 -179.95 6.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 111.0 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.593 ' SG ' ' CE1' ' A' ' 86' ' ' HIS . 0.7 OUTLIER -86.26 155.9 20.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 108.305 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 6.2 mt-10 -80.85 -47.31 1.18 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 0.0 110.266 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.09 0.5 8.87 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.513 1.796 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.729 ' CD2' HD13 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -171.78 83.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.578 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.17 11.41 37.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.64 37.97 0.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.095 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 86' ' ' HIS . . . -122.84 32.68 5.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 109.243 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 97.72 6.53 57.2 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.637 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -122.81 99.69 6.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 111.016 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.549 HG12 ' N ' ' A' ' 93' ' ' GLY . 58.0 t -146.05 168.46 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.252 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.549 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -150.44 132.5 3.96 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -116.61 121.2 41.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.744 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.61 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 55.9 t -105.11 146.73 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.2 t -145.32 101.63 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.407 HG22 ' CD2' ' A' ' 73' ' ' PHE . 31.4 t -93.66 144.62 9.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.844 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.4 m -144.84 139.31 27.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.491 ' CG2' HG11 ' A' ' 21' ' ' VAL . 4.1 t -141.55 122.1 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -94.89 101.12 12.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.494 ' SD ' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -50.57 97.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.18 -173.52 19.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.561 1.163 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.9 p -102.27 159.92 14.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 0.74 . . . . 0.0 109.928 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.43 69.16 1.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.0 t 70.48 103.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.96 -72.59 0.22 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.6 173.59 11.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.777 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.621 HD13 ' CE1' ' A' ' 86' ' ' HIS . 0.6 OUTLIER -102.14 100.85 11.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.5 m -145.4 132.79 15.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.598 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 52.2 m-85 -75.44 123.09 24.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.468 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 8.1 tp10 -143.2 126.93 9.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.81 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.02 130.62 21.75 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.007 -0.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.435 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 82.6 p -48.87 -38.1 21.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.025 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.5 m -126.3 128.04 46.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.81 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.1 m -129.76 144.49 37.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.2 m -133.64 111.21 10.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.368 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.844 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 1.1 pt -119.32 -179.06 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.532 ' O ' HG13 ' A' ' 97' ' ' VAL . 10.9 mttt -74.64 176.79 6.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.45 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . . . -101.09 90.85 4.29 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 148.24 -17.83 1.34 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -81.81 179.39 7.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 0.796 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -120.52 176.11 5.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.275 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.568 HG21 ' CE2' ' A' ' 73' ' ' PHE . 91.9 t -136.43 127.82 43.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -101.71 136.67 41.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.382 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.433 ' O ' ' CB ' ' A' ' 68' ' ' SER . 1.0 OUTLIER -106.31 172.39 6.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 108.039 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.1 t -144.15 136.12 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -75.64 113.26 12.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -107.96 -165.9 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.448 ' CB ' HD22 ' A' ' 36' ' ' LEU . 16.8 mmtt -77.33 -178.94 5.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.554 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.2 mm? 69.36 53.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.521 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -97.35 162.13 23.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.966 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.53 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.3 Cg_endo -75.07 163.7 90.07 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 120.962 -2.516 . . . . 0.0 111.009 0.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -139.03 129.0 25.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.571 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -119.26 169.63 9.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.666 HG21 ' CE1' ' A' ' 58' ' ' HIS . 2.4 mp -133.13 99.72 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.217 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.39 113.7 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.623 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -89.66 98.51 11.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.854 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -76.5 104.54 7.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.64 97.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 44' ' ' ALA . 41.1 t0 -122.44 75.24 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.41 -26.52 8.56 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.464 1.103 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.624 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -101.29 179.84 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 0.792 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.511 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -76.34 143.51 40.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.461 1.101 . . . . 0.0 109.355 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.37 -67.66 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.765 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -40.5 -41.29 1.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.789 HG22 ' HE2' ' A' ' 79' ' ' TYR . 2.9 m -60.64 -71.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -48.13 -24.41 1.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.765 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -57.37 -70.41 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -56.49 -25.5 51.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.623 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -79.46 -19.35 50.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.407 1.067 . . . . 0.0 109.277 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 53' ' ' ALA . 87.1 p -91.62 140.78 29.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.994 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.666 ' CE1' HG21 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -128.57 99.48 5.39 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.606 1.191 . . . . 0.0 109.659 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.451 ' O ' HD22 ' A' ' 61' ' ' LEU . 0.9 OUTLIER -76.13 -32.96 59.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.66 110.22 0.1 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 2.0 mm? -69.66 158.42 35.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.276 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.44 122.43 15.59 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 3.5 m-85 -122.34 34.56 5.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.941 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.49 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . . . -138.12 128.56 26.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.75 86.54 3.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.409 1.068 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 164.08 -30.96 0.25 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.49 ' CD ' ' HB3' ' A' ' 64' ' ' ALA . 2.5 mp0 -78.25 111.28 14.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 0.3 OUTLIER -105.62 172.52 6.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -121.38 171.15 8.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.6 m -144.64 153.57 41.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 55.6 p -144.76 162.98 35.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.971 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.558 ' O ' HD11 ' A' ' 56' ' ' LEU . 6.4 m -115.8 110.83 19.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.778 ' CB ' HD11 ' A' ' 23' ' ' ILE . 4.5 m-30 -95.5 58.62 2.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 m -80.41 -65.96 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.19 122.52 70.51 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 106.23 2.23 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.537 1.809 . . . . 0.0 111.007 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.56 -152.08 5.93 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.546 1.154 . . . . 0.0 111.017 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 m -136.06 100.22 4.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 0.765 . . . . 0.0 110.361 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.789 ' HE2' HG22 ' A' ' 52' ' ' THR . 78.5 m-85 -95.37 137.02 35.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.7 p -122.0 108.73 13.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.376 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.599 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 32.7 p90 -111.06 129.01 56.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 0.0 111.013 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.854 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -133.55 -179.43 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.945 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 86' ' ' HIS . 0.5 OUTLIER -93.15 133.88 35.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 108.305 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.506 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 4.5 mt-10 -51.17 -51.62 66.44 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.568 1.168 . . . . 0.0 110.264 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -74.97 -17.03 19.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.481 1.779 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.621 ' CE1' HD13 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -131.07 65.8 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.618 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.558 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 12.3 mtp180 -86.08 -51.46 6.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 110.256 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -121.33 38.95 2.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -97.99 -40.11 8.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 154.81 -32.56 0.68 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.56 1.162 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -83.21 98.72 9.53 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.446 0.733 . . . . 0.0 110.943 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 93' ' ' GLY . 54.2 t -146.47 165.48 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.482 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -126.72 155.29 19.56 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.428 1.08 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.38 109.08 8.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 0.732 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.587 HG11 ' CE2' ' A' ' 73' ' ' PHE . 2.2 t -97.44 147.27 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.1 t -145.49 116.87 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 24' ' ' LYS . 19.9 t -102.4 149.54 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 1.003 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 53.3 m -137.84 129.74 28.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.799 HG22 ' HD2' ' A' ' 18' ' ' PRO . 61.2 t -126.85 145.25 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -114.62 128.84 56.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.51 ' HE1' ' HB3' ' A' ' 31' ' ' TRP . 3.2 ptp -93.57 45.77 1.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.451 ' O ' ' ND2' ' A' ' 34' ' ' ASN . . . 162.09 97.66 0.12 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.52 1.138 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.7 p -48.43 148.95 1.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 109.972 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.71 59.92 1.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.6 -62.1 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.987 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.82 44.19 0.02 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.569 1.168 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.93 124.49 13.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 0.792 . . . . 0.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.994 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -76.14 99.9 4.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.3 m -138.49 153.7 26.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.674 ' CD1' ' HE2' ' A' ' 91' ' ' MET . 11.2 m-85 -103.84 101.8 11.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 111.052 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.511 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.9 tt0 -136.33 137.2 23.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.343 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.799 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.0 Cg_endo -75.03 133.53 31.82 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.946 -2.522 . . . . 0.0 110.96 0.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.436 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 56.4 p -54.91 -36.0 64.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.459 1.099 . . . . 0.0 110.005 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.1 m -123.54 120.83 34.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.452 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.795 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.3 m -126.78 128.89 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.3 m -120.19 116.31 25.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.95 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.1 pt -121.39 -179.28 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -75.37 175.91 7.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.594 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -98.13 102.67 14.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 135.76 -22.64 3.46 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.496 1.122 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.35 -179.35 4.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.743 . . . . 0.0 110.276 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.51 177.79 6.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.003 HG22 ' HB3' ' A' ' 3' ' ' ALA . 24.7 t -138.51 155.43 28.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 4' ' ' THR . 12.2 ttpt -134.96 136.21 42.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.207 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.559 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 22.7 m-90 -107.84 126.28 52.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 108.027 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.1 t -104.08 128.28 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -88.51 153.77 20.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.234 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 8' ' ' GLY . 6.3 m-20 -131.61 -73.31 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.1 176.81 9.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.994 HD13 ' HB3' ' A' ' 14' ' ' LEU . 1.3 mt 72.06 69.43 0.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.561 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -110.69 163.63 16.79 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.728 ' HB2' HD12 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -74.93 162.31 93.08 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.023 -2.49 . . . . 0.0 111.052 -0.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.61 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -133.2 124.34 27.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.594 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.464 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.4 OUTLIER -119.58 163.57 17.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.232 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mt -128.01 99.8 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -106.59 120.51 57.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.608 ' CD1' ' HB3' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -92.28 103.45 15.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.859 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -79.67 106.07 11.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' ALA . . . -39.8 97.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -131.7 72.59 1.5 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.44 -12.55 9.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.693 HG11 ' CE2' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -122.17 179.63 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.524 0.779 . . . . 0.0 109.339 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.446 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -74.98 149.65 39.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.356 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -64.98 -50.64 65.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.493 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 12.7 m-20 -55.29 -52.28 63.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.752 HG22 ' HE2' ' A' ' 79' ' ' TYR . 1.3 m -57.55 -30.41 65.2 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.411 1.07 . . . . 0.0 110.378 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -86.45 -18.83 30.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -61.26 -51.46 68.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.28 -52.73 14.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.422 HD11 ' O ' ' A' ' 72' ' ' THR . 0.1 OUTLIER -50.2 -33.85 20.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 76.6 p -77.37 149.23 35.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 110.049 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.484 ' O ' HG13 ' A' ' 42' ' ' VAL . 37.7 m-70 -120.04 -179.81 4.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.692 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.401 ' O ' HD22 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -166.37 -50.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -40.59 99.23 0.01 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.467 1.104 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.728 HD12 ' HB2' ' A' ' 38' ' ' PRO . 2.2 mm? -52.99 155.1 2.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 0.745 . . . . 0.0 109.337 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -129.76 137.53 50.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.413 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 4.6 m-85 -127.85 45.39 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.92 100.24 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.86 82.39 0.2 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.67 -35.28 0.1 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.451 1.095 . . . . 0.0 110.955 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.14 160.34 30.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 0.759 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 3.3 p -145.19 133.27 21.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.011 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -78.65 166.42 22.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 53.7 m -132.29 160.6 35.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.358 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.415 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 5.6 t -145.55 147.08 31.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 1.026 HG22 HG23 ' A' ' 74' ' ' THR . 99.4 m -92.7 128.15 38.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.156 . . . . 0.0 110.382 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.7 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 3.2 m-85 -117.46 41.59 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 1.026 HG23 HG22 ' A' ' 72' ' ' THR . 61.3 p -67.72 -70.23 0.27 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.427 1.08 . . . . 0.0 110.414 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.404 ' N ' ' OG1' ' A' ' 74' ' ' THR . 8.2 tt0 -67.99 132.18 92.17 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 125.79 9.57 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.42 1.747 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -166.18 -161.08 14.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.5 m -133.22 94.48 3.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 0.76 . . . . 0.0 110.413 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.752 ' HE2' HG22 ' A' ' 52' ' ' THR . 74.6 m-85 -93.08 138.13 31.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 111.054 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.5 m -121.4 109.44 14.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 110.375 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.597 ' OH ' HG11 ' A' ' 5' ' ' VAL . 30.4 p90 -112.76 138.78 49.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.14 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.859 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -145.07 -179.8 6.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.591 ' HG ' ' CE1' ' A' ' 86' ' ' HIS . 0.6 OUTLIER -78.86 120.1 22.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 108.332 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.547 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -46.32 -49.05 44.63 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.08 -57.86 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.591 ' CE1' ' HG ' ' A' ' 83' ' ' CYS . 0.5 OUTLIER -82.06 53.08 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.61 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.559 ' HG3' ' CD1' ' A' ' 82' ' ' TYR . 14.3 ttp-105 -91.63 33.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.336 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 169.51 56.15 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -144.04 -53.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.43 39.99 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.444 1.09 . . . . 0.0 110.972 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.674 ' HE2' ' CD1' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -144.57 99.13 3.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.595 0.82 . . . . 0.0 110.999 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 93' ' ' GLY . 45.7 t -145.81 165.18 10.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.484 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -148.63 149.36 21.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.571 1.169 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.93 108.11 7.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.75 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.7 HG21 ' HZ ' ' A' ' 73' ' ' PHE . 1.5 t -89.81 152.7 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.3 t -145.98 105.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.665 HG22 ' CD2' ' A' ' 73' ' ' PHE . 37.3 t -89.4 145.03 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.594 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.991 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.0 m -93.01 126.81 38.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.464 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.839 HG22 ' HD2' ' A' ' 18' ' ' PRO . 24.6 t -137.92 104.42 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.15 124.43 33.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.4 ptt? -83.84 45.49 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 174.87 158.21 18.31 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.478 ' OG ' ' CG2' ' A' ' 15' ' ' VAL . 10.9 m -105.02 138.72 40.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 0.809 . . . . 0.0 109.96 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -74.78 62.45 1.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.07 -63.03 0.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 110.014 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.99 44.36 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.455 1.097 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.4 162.16 37.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.761 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.583 HD13 ' CE1' ' A' ' 86' ' ' HIS . 0.5 OUTLIER -110.75 101.9 10.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.478 ' CG2' ' OG ' ' A' ' 9' ' ' SER . 12.1 m -143.29 177.65 2.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.417 1.073 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.544 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 61.6 m-85 -121.95 119.47 31.61 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.471 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.7 OUTLIER -145.3 130.55 9.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.266 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.839 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.2 Cg_endo -74.99 136.57 45.84 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.014 -2.494 . . . . 0.0 110.995 -0.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.2 p -55.35 -35.1 64.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.068 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.4 m -132.24 141.4 49.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.393 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.659 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -142.86 153.27 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.2 m -131.85 100.99 5.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.391 1.057 . . . . 0.0 110.432 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.917 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.4 pp -110.46 -179.45 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.742 ' O ' HD12 ' A' ' 23' ' ' ILE . 21.6 mttt -76.35 179.79 5.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.431 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -100.76 104.71 15.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 119.99 11.63 6.87 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.753 ' HB3' HD13 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -94.51 -179.86 5.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 0.735 . . . . 0.0 110.27 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.435 ' CD ' ' O ' ' A' ' 71' ' ' SER . 3.3 tp10 -122.29 146.14 47.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.991 HG22 ' HB3' ' A' ' 3' ' ' ALA . 16.1 t -121.76 128.02 75.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.441 ' CG ' ' HB3' ' A' ' 68' ' ' SER . 1.3 ttmp? -99.95 149.47 23.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.579 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 5.2 m-90 -123.5 128.53 49.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 108.018 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.1 t -87.92 134.49 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.38 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -77.78 119.78 21.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -101.61 -173.78 2.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.779 ' C ' HD12 ' A' ' 36' ' ' LEU . 3.2 mmmt -79.97 178.86 7.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.779 HD12 ' C ' ' A' ' 35' ' ' LYS . 2.0 mp 75.45 34.18 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.382 1.051 . . . . 0.0 109.26 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.5 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -68.38 160.98 73.1 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.945 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.581 ' HB2' HD12 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -75.0 150.8 96.04 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 121.047 -2.48 . . . . 0.0 110.983 -0.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -132.18 100.76 5.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 109.589 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.779 ' HB3' HD13 ' A' ' 61' ' ' LEU . 11.8 p-10 -100.14 177.19 5.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.238 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.504 HD13 ' CG ' ' A' ' 31' ' ' TRP . 7.3 mt -137.35 103.32 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -106.82 125.55 62.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.613 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -100.48 95.82 6.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.954 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.797 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -75.19 127.38 33.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.14 95.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' ALA . 52.9 t0 -119.46 52.81 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.09 -9.13 7.08 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.667 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -120.57 176.58 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.463 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -75.95 141.57 42.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.903 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.07 -28.06 69.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.389 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.421 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 16.3 m-20 -69.08 -60.72 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.497 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -59.27 -24.85 63.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.413 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.42 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -85.06 -20.92 29.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -64.31 -52.52 58.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.04 -37.13 78.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.718 HD11 ' O ' ' A' ' 72' ' ' THR . 0.1 OUTLIER -70.67 -22.74 62.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.409 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.1 m -81.18 157.25 25.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.423 ' ND1' ' CD1' ' A' ' 69' ' ' PHE . 65.5 m-70 -134.23 100.27 4.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.59 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -84.55 -53.43 5.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -40.24 105.04 0.05 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.457 1.098 . . . . 0.0 111.05 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.779 HD13 ' HB3' ' A' ' 40' ' ' ASN . 2.4 mm? -50.66 179.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.24 133.78 22.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 109.232 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.574 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 11.1 m-85 -130.54 39.42 3.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.29 127.63 19.87 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.43 77.88 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.21 -33.58 0.1 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -74.54 151.59 39.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 110.321 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 67.1 m -135.54 139.52 44.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.423 ' CD1' ' ND1' ' A' ' 58' ' ' HIS . 0.8 OUTLIER -81.32 170.51 15.94 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.93 144.67 35.31 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.423 1.077 . . . . 0.0 110.409 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.435 ' O ' ' CD ' ' A' ' 28' ' ' GLU . 1.3 p -141.78 160.31 40.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.718 ' O ' HD11 ' A' ' 56' ' ' LEU . 13.7 m -110.48 127.66 55.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.393 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.685 ' CB ' HD11 ' A' ' 23' ' ' ILE . 4.6 m-30 -106.34 52.4 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.6 m -72.28 -61.34 1.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 110.447 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.26 119.49 62.46 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.421 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.1 Cg_endo -75.08 106.22 2.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.79 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.0 -148.57 5.09 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 51.5 m -138.48 99.3 3.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 0.728 . . . . 0.0 110.453 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.682 ' CE2' HD13 ' A' ' 56' ' ' LEU . 69.1 m-85 -89.71 145.43 25.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 111.083 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.6 m -129.9 111.93 13.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.355 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.613 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 29.5 p90 -114.11 139.33 49.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.797 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -137.1 177.91 7.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.951 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 1.28 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 94.4 m -82.05 133.04 35.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 108.335 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 1.1 mt-10 -57.18 -50.53 87.65 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.11 -46.52 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.503 1.791 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.583 ' CE1' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -93.35 42.81 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.596 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -68.05 -53.28 26.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 110.34 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -110.15 52.45 0.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.39 -41.8 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 138.35 45.05 0.08 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.567 1.167 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 1.28 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.3 OUTLIER -144.9 99.65 3.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 111.048 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.539 HG12 ' N ' ' A' ' 93' ' ' GLY . 38.3 t -146.0 169.54 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.539 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -135.71 175.56 20.71 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -144.74 134.87 24.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 0.0 109.246 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.585 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 2.1 t -120.86 148.61 23.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.6 t -138.51 113.69 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.548 HG22 ' CD2' ' A' ' 73' ' ' PHE . 89.2 t -96.31 142.08 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.431 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 1.027 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.9 m -131.26 149.55 52.52 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 0.0 110.369 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 31' ' ' TRP . 95.4 t -144.14 111.61 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.356 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -87.76 137.38 32.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.463 ' HB3' ' HE3' ' A' ' 7' ' ' MET . 11.9 tmm? -111.24 121.09 44.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 111.014 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 9' ' ' SER . . . 84.95 91.73 0.8 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.431 1.082 . . . . 0.0 111.008 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 8' ' ' GLY . 80.9 p -38.25 151.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 0.735 . . . . 0.0 110.024 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -74.79 58.53 0.83 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.47 -65.02 0.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.041 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.16 45.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.556 1.16 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.11 120.09 10.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.702 HD13 ' ND1' ' A' ' 86' ' ' HIS . 0.5 OUTLIER -75.59 100.91 4.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.2 m -144.94 135.3 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.592 1.182 . . . . 0.0 109.218 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.572 ' CE2' ' HG2' ' A' ' 91' ' ' MET . 93.2 m-85 -84.93 117.75 24.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 2.4 mt-10 -145.33 126.18 7.44 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.509 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.0 134.8 37.6 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.998 -2.501 . . . . 0.0 111.048 -0.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.9 p -64.3 -29.74 70.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.952 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.7 m -124.57 124.69 42.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.509 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -133.46 138.07 51.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.225 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -126.15 101.41 6.75 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 0.0 110.389 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.89 HG21 ' HB2' ' A' ' 3' ' ' ALA . 2.0 pt -111.62 -178.57 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.157 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -73.69 177.24 5.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.585 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -99.02 91.51 5.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 145.66 -16.47 1.81 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.465 1.103 . . . . 0.0 111.047 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.505 ' HB3' HD12 ' A' ' 23' ' ' ILE . 3.2 tt0 -75.19 179.22 5.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.754 . . . . 0.0 110.315 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -123.95 153.88 40.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.027 HG22 ' HB3' ' A' ' 3' ' ' ALA . 10.7 t -127.25 129.24 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -99.29 148.35 24.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.436 ' O ' ' HA ' ' A' ' 68' ' ' SER . 5.0 m-90 -115.64 101.54 8.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 1.146 . . . . 0.0 107.986 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 11.5 t -85.99 148.46 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -121.3 171.82 8.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.245 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -152.61 -69.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.581 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -131.04 -179.71 5.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.601 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 2.3 mm? 66.38 69.95 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.582 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -131.1 164.27 43.44 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.985 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.582 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.02 163.84 89.77 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.963 -2.515 . . . . 0.0 111.032 -0.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.601 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -145.39 135.63 23.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 109.625 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -105.94 175.18 5.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 74.9 mt -142.43 99.22 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.426 ' CG1' ' HG2' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -112.75 122.42 66.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.615 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -92.97 100.71 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 111.042 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.987 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -75.96 132.19 40.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.0 91.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -119.16 78.0 1.25 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.17 -26.53 16.68 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.831 HG11 ' CE1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -101.15 -179.75 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.581 0.813 . . . . 0.0 109.359 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.521 ' O ' HG13 ' A' ' 48' ' ' VAL . 2.9 m-20 -74.86 167.74 21.28 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.54 -69.96 0.5 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.633 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 2.2 m-20 -41.47 -47.12 3.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.517 HG22 ' HE1' ' A' ' 79' ' ' TYR . 1.6 m -53.53 -53.72 47.54 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.115 . . . . 0.0 110.451 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -66.61 -22.34 66.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -65.68 -27.2 68.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.48 -38.24 14.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.611 HD12 ' CE1' ' A' ' 79' ' ' TYR . 4.8 mt -74.15 -22.06 59.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 53' ' ' ALA . 23.2 m -74.22 137.8 43.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -114.96 99.51 7.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.644 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.426 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 4.8 mtpm? -101.41 52.57 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.605 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -108.23 -154.09 17.39 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.834 HD12 ' CE1' ' A' ' 63' ' ' PHE . 0.5 OUTLIER -140.2 111.14 6.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.19 99.9 10.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.834 ' CE1' HD12 ' A' ' 61' ' ' LEU . 3.7 m-85 -132.88 41.87 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.03 116.8 8.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.99 87.45 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.86 44.08 0.16 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.92 143.33 48.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 0.726 . . . . 0.0 110.365 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 32.3 p -144.07 133.86 23.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.025 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.418 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 4.2 m-85 -76.72 -179.81 5.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 p -142.51 141.31 32.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.366 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.3 t -128.25 142.96 51.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.033 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 29.1 m -94.01 96.35 9.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.354 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.594 ' CD2' HD11 ' A' ' 23' ' ' ILE . 3.8 m-30 -82.42 56.8 3.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.6 m -85.23 -64.13 1.21 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.89 126.85 88.12 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 115.62 4.34 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -170.09 -147.11 5.39 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.3 m -144.02 112.13 6.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 0.785 . . . . 0.0 110.397 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.831 ' CE1' HG11 ' A' ' 48' ' ' VAL . 96.1 m-85 -104.63 142.91 33.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.4 m -118.87 110.08 16.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.083 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.573 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 52.0 p90 -105.29 134.77 47.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.987 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -145.9 -179.29 6.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 0.0 110.985 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 1.041 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 8.4 m -85.31 147.09 26.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 108.328 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.517 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 2.1 mt-10 -70.1 -50.81 15.4 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.97 -45.46 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.786 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.702 ' ND1' HD13 ' A' ' 14' ' ' LEU . 26.5 m170 -92.02 38.38 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 109.636 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 87' ' ' ARG . 5.3 ttp-105 -65.39 -59.39 4.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 110.329 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.23 69.42 0.3 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.27 -47.35 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 0.81 . . . . 0.0 109.292 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 147.07 44.71 0.03 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.577 1.173 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 1.041 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.7 OUTLIER -145.17 98.88 3.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.405 0.709 . . . . 0.0 110.995 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.544 HG12 ' N ' ' A' ' 93' ' ' GLY . 40.7 t -146.54 169.56 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.544 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -142.72 156.46 26.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.23 143.4 50.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 0.794 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.544 ' CG1' ' CE2' ' A' ' 73' ' ' PHE . 40.8 t -122.79 146.91 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.6 t -138.99 102.65 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.379 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.493 HG22 ' CD2' ' A' ' 73' ' ' PHE . 32.8 t -99.16 140.49 18.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.585 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 1.8 t0 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.919 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 99.0 m -141.65 137.96 32.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.356 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.645 HG11 ' OH ' ' A' ' 81' ' ' TYR . 46.8 t -144.35 109.11 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.212 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -74.63 142.41 44.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.452 ' HE3' ' HB3' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -95.88 89.47 5.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 9' ' ' SER . . . 93.13 127.41 4.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 8' ' ' GLY . 0.8 OUTLIER -43.06 166.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 110.01 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.417 ' O ' ' HB3' ' A' ' 11' ' ' SER . 10.9 p30 -73.17 67.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.417 ' HB3' ' O ' ' A' ' 10' ' ' ASP . 35.7 t 66.85 99.62 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.989 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.13 -65.59 0.2 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.31 133.64 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.526 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -75.42 99.79 4.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.0 m -145.26 133.23 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.137 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.507 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 82.8 m-85 -79.15 116.0 19.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.452 1.095 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.458 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -141.24 126.23 10.76 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 110.318 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.634 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.0 130.19 20.64 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.039 -2.484 . . . . 0.0 111.0 0.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.426 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 84.7 p -37.86 -39.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.08 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 94' ' ' LYS . 7.3 t -151.36 157.93 43.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.427 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.838 HG21 ' HB1' ' A' ' 3' ' ' ALA . 0.8 OUTLIER -139.77 168.34 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.361 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.489 HG23 HG12 ' A' ' 96' ' ' VAL . 18.7 m -133.78 103.17 5.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.423 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.919 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 6.8 pt -109.96 -179.83 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.436 ' O ' HG13 ' A' ' 97' ' ' VAL . 5.6 mmtt -75.05 178.04 5.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.469 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -97.43 93.71 6.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.361 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.0 -19.11 2.15 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.795 ' HB3' HD12 ' A' ' 23' ' ' ILE . 2.3 tt0 -76.15 -179.85 5.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 0.733 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -124.97 -179.5 4.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.941 HG21 ' CE2' ' A' ' 73' ' ' PHE . 38.4 t -131.86 162.56 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.583 1.177 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.445 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 1.5 tttp -137.8 131.46 31.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.338 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.561 ' CD1' HD13 ' A' ' 41' ' ' ILE . 10.5 m-90 -105.54 156.52 18.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 108.008 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.5 t -140.0 129.66 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -95.14 150.83 19.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.584 1.177 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -131.88 -77.01 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.11 176.54 9.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.526 HD13 ' HB3' ' A' ' 14' ' ' LEU . 0.4 OUTLIER 80.0 45.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.566 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -91.89 163.94 25.7 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.969 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.566 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.01 164.39 88.51 Favored 'Cis proline' 0 C--N 1.359 1.104 0 C-N-CA 121.049 -2.48 . . . . 0.0 110.962 0.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.643 ' H ' ' HB3' ' A' ' 62' ' ' ALA . 0.7 OUTLIER -139.23 137.55 36.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -124.53 172.64 9.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.631 HG22 ' CE1' ' A' ' 43' ' ' PHE . 9.8 mt -139.66 99.27 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -111.41 126.85 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.631 ' CE1' HG22 ' A' ' 41' ' ' ILE . 2.4 m-85 -95.1 103.18 15.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.593 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -79.46 101.45 8.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.78 97.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.2 m-20 -124.39 85.28 2.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.99 -34.18 5.59 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.57 1.169 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.045 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -89.49 -178.86 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.792 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.524 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -74.06 169.18 18.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.62 -59.78 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.641 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -52.37 -54.77 27.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.507 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 16.4 m -46.37 -61.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.438 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.495 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -56.3 -34.2 66.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -58.41 -21.91 52.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.13 -30.03 16.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.241 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.605 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 5.7 mp -92.09 -1.43 57.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.542 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -83.83 119.76 25.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 110.006 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 3.5 m-70 -94.5 170.28 9.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.59 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.21 52.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.485 ' HA3' ' CZ ' ' A' ' 69' ' ' PHE . . . -107.13 138.7 14.62 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -86.69 128.83 35.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 0.792 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.643 ' HB3' ' H ' ' A' ' 39' ' ' HIS . . . -89.87 120.21 30.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.513 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 8.7 m-85 -146.86 -45.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.601 1.188 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.55 116.14 27.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.44 92.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.165 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.17 44.98 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.024 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.16 100.98 7.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 110.241 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 10.2 p -108.82 125.54 52.08 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 32.4 m-85 -92.9 173.1 7.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.805 HG23 ' O ' ' A' ' 29' ' ' VAL . 11.2 m -145.96 149.89 35.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.5 t -138.34 144.57 40.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.929 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.574 ' O ' HD11 ' A' ' 56' ' ' LEU . 18.8 m -93.51 107.26 19.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.941 ' CE2' HG21 ' A' ' 29' ' ' VAL . 5.9 m-30 -91.61 50.85 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.6 m -70.68 -64.47 0.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.404 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -62.1 122.86 75.24 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 123.09 7.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 177.64 -138.69 3.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.433 1.083 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.0 t -145.18 130.38 18.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 110.371 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 1.045 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 93.2 m-85 -126.84 113.37 16.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 61.3 p -95.14 118.69 32.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.645 ' OH ' HG11 ' A' ' 5' ' ' VAL . 36.8 p90 -119.49 142.28 48.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.593 ' CZ ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -141.19 179.91 6.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.41 ' SG ' ' ND1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER -79.62 146.77 32.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 108.362 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.499 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -73.28 -51.86 5.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.266 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -74.89 -49.48 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.538 1.809 . . . . 0.0 111.057 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -91.12 46.58 1.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.633 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.405 ' NH1' ' HB3' ' A' ' 87' ' ' ARG . 16.0 ttp-105 -67.97 -55.46 12.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.91 60.67 0.34 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.58 1.175 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.14 -46.08 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 144.83 43.76 0.04 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.507 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -145.44 100.18 3.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.623 0.837 . . . . 0.0 111.047 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 93' ' ' GLY . 97.2 t -142.92 165.98 15.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.515 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -136.43 174.48 21.5 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 20' ' ' THR . 2.2 tttp -144.99 148.52 33.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 109.327 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.713 HG13 ' CE2' ' A' ' 73' ' ' PHE . 40.5 t -127.19 144.35 37.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.489 HG12 HG23 ' A' ' 22' ' ' THR . 7.3 t -138.39 120.36 17.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.435 1.084 . . . . 0.0 109.263 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.492 HG11 ' O ' ' A' ' 73' ' ' PHE . 48.8 t -121.76 139.61 48.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.469 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 1.073 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.9 m -90.52 125.4 35.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.404 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.59 ' CG2' HG11 ' A' ' 21' ' ' VAL . 21.5 t -143.5 100.43 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.368 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -87.45 135.22 33.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.623 ' SD ' HD11 ' A' ' 41' ' ' ILE . 1.0 OUTLIER -75.37 -121.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 9' ' ' SER . . . -43.83 122.82 4.33 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.417 1.073 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 8' ' ' GLY . 83.6 p -43.13 165.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.967 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -74.59 68.71 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.22 95.04 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.068 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.51 -71.2 0.14 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.82 132.41 20.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.772 . . . . 0.0 109.268 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.04 99.99 4.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.4 m -145.15 141.97 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.57 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 71.5 m-85 -80.01 124.98 29.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.568 1.167 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -137.99 131.82 16.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 110.276 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.893 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.6 Cg_endo -74.94 132.61 28.12 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 121.001 -2.499 . . . . 0.0 111.034 -0.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.429 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 38.0 p -42.64 -37.02 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.5 m -133.39 117.73 17.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.374 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.893 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -114.64 144.77 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.461 HG23 HG12 ' A' ' 96' ' ' VAL . 17.3 m -133.4 103.71 6.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 1.022 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.1 pt -111.55 176.83 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.481 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -74.92 173.63 10.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.355 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.93 131.07 38.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.94 -11.97 57.52 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.37 178.19 7.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 0.799 . . . . 0.0 110.346 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 28' ' ' GLU . 8.7 mp0 -121.4 179.8 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.073 HG22 ' HB3' ' A' ' 3' ' ' ALA . 2.4 t -139.09 160.11 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 2.1 ttmt -129.71 152.12 49.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.571 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 11.1 m-90 -123.11 154.69 38.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 108.038 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.8 t -138.54 114.87 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.663 ' ND2' ' HB1' ' A' ' 62' ' ' ALA . 32.0 t30 -87.03 135.74 33.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -111.09 -87.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.244 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.529 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.3 mttt -131.43 179.47 6.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 109.238 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.59 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.8 OUTLIER 76.2 54.07 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.516 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -94.78 161.17 29.53 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 110.007 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.516 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.96 156.81 99.89 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.97 -2.513 . . . . 0.0 111.066 -0.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.821 ' H ' ' HB3' ' A' ' 62' ' ' ALA . 0.3 OUTLIER -136.81 99.65 4.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.669 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -94.96 175.94 6.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.69 HG22 ' CE1' ' A' ' 43' ' ' PHE . 3.0 mt -134.6 98.49 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.246 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.423 HG13 ' CG ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -108.37 127.1 64.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 0.0 109.291 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.69 ' CE1' HG22 ' A' ' 41' ' ' ILE . 2.2 m-85 -98.04 113.02 24.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.483 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -92.38 109.44 20.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.2 96.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 44' ' ' ALA . 27.4 t70 -122.49 80.44 1.73 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.83 -33.68 5.63 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.583 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -91.37 179.41 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.265 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.443 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -77.29 138.03 39.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.411 1.069 . . . . 0.0 109.311 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' ASP . . . -51.91 -67.77 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.868 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -40.33 -53.69 2.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.771 HG22 ' HE2' ' A' ' 79' ' ' TYR . 2.0 m -49.81 -68.35 0.18 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.49 1.119 . . . . 0.0 110.37 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.539 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -51.91 -23.33 4.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.868 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -63.21 -37.72 88.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.13 -33.17 56.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.67 HD21 ' O ' ' A' ' 72' ' ' THR . 6.8 mp -85.2 -1.21 56.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.385 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.57 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -84.32 117.02 23.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.984 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.505 ' O ' ' CG ' ' A' ' 59' ' ' LYS . 1.1 m-70 -94.55 166.39 12.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.565 1.166 . . . . 0.0 109.632 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -173.04 63.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -118.3 129.69 8.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.715 HD11 ' CD1' ' A' ' 63' ' ' PHE . 1.8 tm? -58.61 134.51 56.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.821 ' HB3' ' H ' ' A' ' 39' ' ' HIS . . . -110.97 99.2 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.715 ' CD1' HD11 ' A' ' 61' ' ' LEU . 1.4 m-85 -145.58 28.6 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 0.0 111.099 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 66' ' ' GLY . . . -142.46 119.79 11.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.38 77.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 153.29 44.35 0.02 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.71 135.61 50.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 0.772 . . . . 0.0 110.272 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.4 m -143.72 122.76 12.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.987 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.421 ' HB3' ' NE2' ' A' ' 58' ' ' HIS . 14.2 m-85 -98.3 174.26 6.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 111.022 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.505 ' H ' ' HE2' ' A' ' 58' ' ' HIS . 12.6 m -143.57 151.15 39.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.366 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.7 t -138.23 158.89 43.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.67 ' O ' HD21 ' A' ' 56' ' ' LEU . 5.6 m -105.19 111.78 24.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.693 ' CE2' HG13 ' A' ' 95' ' ' VAL . 3.8 m-30 -102.65 62.12 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.584 HG23 HG22 ' A' ' 72' ' ' THR . 1.3 p -82.07 -62.57 1.59 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.419 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.1 126.42 92.74 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.355 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.94 111.25 3.28 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.449 1.763 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -165.36 -145.71 4.52 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.7 m -143.22 113.95 7.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 110.373 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.771 ' HE2' HG22 ' A' ' 52' ' ' THR . 80.8 m-85 -104.1 108.23 19.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 21.7 m -85.64 103.4 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.419 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.43 ' CE2' ' CD1' ' A' ' 16' ' ' PHE . 27.0 p90 -112.74 149.47 32.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 111.05 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.585 ' HB3' HG13 ' A' ' 92' ' ' VAL . 0.3 OUTLIER -144.19 -179.67 6.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.964 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.516 ' SG ' ' CZ ' ' A' ' 16' ' ' PHE . 3.7 m -79.48 142.93 35.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 108.312 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.528 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -76.13 -50.12 3.06 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.566 1.166 . . . . 0.0 110.295 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -75.0 0.25 9.14 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.618 ' CE1' ' CE1' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -143.23 49.23 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.624 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.3 ptt85 -95.33 52.99 1.45 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.082 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 161.85 51.62 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.483 1.115 . . . . 0.0 111.051 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.89 -46.8 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.761 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 142.33 45.12 0.05 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.12 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.57 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 6.2 ttt -140.9 99.41 3.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.585 HG13 ' HB3' ' A' ' 82' ' ' TYR . 30.2 t -145.81 159.25 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -116.89 178.2 17.07 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.502 1.126 . . . . 0.0 110.934 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -145.35 99.14 3.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.254 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.693 HG13 ' CE2' ' A' ' 73' ' ' PHE . 5.0 t -79.03 147.9 6.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.461 HG12 HG23 ' A' ' 22' ' ' THR . 8.4 t -144.04 123.29 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.62 HG22 ' CD2' ' A' ' 73' ' ' PHE . 41.6 t -120.82 137.19 55.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.973 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 1.053 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 92.0 m -97.23 118.41 33.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.6 t -136.93 159.4 36.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.357 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -138.55 162.62 34.1 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.477 ' O ' ' HE3' ' A' ' 91' ' ' MET . 9.4 ptp -91.39 -29.07 17.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -133.71 -179.28 16.23 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 m -107.26 144.08 34.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.767 . . . . 0.0 109.976 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -76.31 57.54 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.588 1.18 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.04 -75.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.99 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.06 44.0 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.11 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.92 123.83 12.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.728 HD12 ' SD ' ' A' ' 91' ' ' MET . 1.4 pp -79.76 99.52 7.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.398 1.061 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.7 m -145.29 167.03 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.429 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 33.0 m-85 -107.73 114.11 27.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 11.0 tt0 -145.37 129.57 8.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.363 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.606 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.06 129.1 17.77 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.005 0.068 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.476 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 60.4 p -55.52 -39.14 70.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.016 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.1 m -123.05 133.48 54.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.409 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.606 HG12 ' HG2' ' A' ' 18' ' ' PRO . 3.1 m -135.69 153.7 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.4 m -133.87 102.06 5.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.442 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 1.001 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.1 pt -111.19 -179.62 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.534 ' O ' HD12 ' A' ' 23' ' ' ILE . 15.7 mttt -81.01 178.46 8.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.678 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -98.04 88.99 4.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 146.52 -16.8 1.65 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.98 -179.76 4.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.753 . . . . 0.0 110.331 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -124.88 171.9 9.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.226 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.053 HG22 ' HB3' ' A' ' 3' ' ' ALA . 4.4 t -130.09 149.37 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -123.42 139.88 53.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -119.4 119.66 34.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 0.0 107.988 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.0 t -87.94 141.94 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -77.44 136.34 38.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -134.6 -179.0 5.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 177.89 6.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER 78.67 47.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.944 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.545 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -89.31 162.66 36.48 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.545 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.92 164.56 88.07 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.049 -0.111 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.701 ' H ' ' HB3' ' A' ' 62' ' ' ALA . 0.6 OUTLIER -139.84 99.93 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.179 . . . . 0.0 109.522 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -88.45 178.41 6.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.731 HG21 ' NE2' ' A' ' 58' ' ' HIS . 95.3 mt -144.01 101.03 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.741 HG13 ' HG2' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -114.5 120.91 65.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 109.324 179.947 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.584 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -94.59 100.73 12.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.542 1.151 . . . . 0.0 110.986 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.85 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -76.21 106.29 7.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.422 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -50.1 95.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.8 OUTLIER -111.22 76.19 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.27 -25.45 12.49 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.813 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 1.3 p -94.49 175.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 0.776 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.509 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -74.74 131.69 41.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.58 -46.3 70.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.18 . . . . 0.0 109.378 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.835 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 1.0 OUTLIER -49.68 -54.98 15.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.26 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.642 HG21 ' OH ' ' A' ' 79' ' ' TYR . 27.2 m -55.46 -66.47 0.41 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.443 1.089 . . . . 0.0 110.393 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -42.9 -28.6 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.835 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -61.96 -70.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.14 -29.88 58.65 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.821 HD12 ' CE1' ' A' ' 79' ' ' TYR . 6.3 mt -73.45 -32.05 64.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 53' ' ' ALA . 97.4 p -76.81 144.83 38.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.731 ' NE2' HG21 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -137.03 99.42 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.591 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.741 ' HG2' HG13 ' A' ' 42' ' ' VAL . 16.8 mttt -85.3 56.09 3.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -88.53 151.07 22.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -86.27 135.85 33.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 109.389 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.701 ' HB3' ' H ' ' A' ' 39' ' ' HIS . . . -109.78 112.48 24.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -140.15 -46.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.1 117.65 25.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.63 109.86 6.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.8 -20.53 2.17 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.552 1.157 . . . . 0.0 111.047 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -83.52 115.38 22.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 0.804 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.9 m -108.39 155.51 20.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 110.051 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -107.58 170.03 8.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.045 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 28.8 m -142.91 152.6 42.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.443 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.466 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 35.5 p -143.19 161.48 38.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.579 ' O ' HD21 ' A' ' 56' ' ' LEU . 22.4 m -115.72 110.47 19.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.44 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.715 ' CB ' HD11 ' A' ' 23' ' ' ILE . 5.6 m-30 -93.83 49.75 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 m -70.59 -55.9 7.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 110.465 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.56 123.15 88.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.265 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 128.17 11.28 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.547 1.814 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -177.1 -150.86 8.62 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.499 1.124 . . . . 0.0 111.079 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 m -137.92 92.48 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 0.743 . . . . 0.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.821 ' CE1' HD12 ' A' ' 56' ' ' LEU . 88.3 m-85 -90.85 135.42 33.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 45.7 m -118.52 109.66 16.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.575 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 38.4 p90 -108.82 137.97 45.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.85 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -145.01 -179.67 6.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.449 ' SG ' ' ND1' ' A' ' 39' ' ' HIS . 0.6 OUTLIER -79.31 136.67 37.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.081 . . . . 0.0 108.34 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.483 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -65.1 -52.6 47.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -74.89 -42.23 0.57 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.491 1.785 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.548 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . 2.6 m170 -100.46 49.02 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.626 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -46.09 85.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.28 50.53 0.78 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.548 ' HB3' ' HB3' ' A' ' 86' ' ' HIS . . . -129.88 53.18 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 43.33 42.92 5.78 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.728 ' SD ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -138.87 98.52 3.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 0.774 . . . . 0.0 111.048 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.554 HG12 ' N ' ' A' ' 93' ' ' GLY . 92.9 t -146.54 168.22 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.554 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -141.87 124.03 2.37 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.395 1.059 . . . . 0.0 111.107 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.19 119.82 40.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.626 HG11 ' CE2' ' A' ' 73' ' ' PHE . 3.3 t -107.7 138.86 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.414 1.071 . . . . 0.0 109.386 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.2 t -131.14 112.16 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 45.8 t -103.72 138.79 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.678 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 30.5 m-20 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.988 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 83.3 m -145.13 129.56 17.86 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.84 HG11 ' OH ' ' A' ' 81' ' ' TYR . 71.2 t -129.98 124.39 58.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.33 145.94 35.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.41 ' SD ' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -49.75 -58.83 4.56 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.43 1.081 . . . . 0.0 110.983 -179.967 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -130.14 -102.86 1.0 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.445 ' C ' ' ND2' ' A' ' 34' ' ' ASN . 89.4 p -152.52 156.74 39.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 110.021 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -86.35 69.45 10.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.0 t -162.27 -77.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.929 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.24 39.11 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.69 140.19 36.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.77 . . . . 0.0 109.269 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.796 HD23 ' HG ' ' A' ' 36' ' ' LEU . 1.6 pp -96.04 100.2 11.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.7 m -144.88 132.02 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.555 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 45.6 m-85 -77.67 112.98 15.05 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.45 1.094 . . . . 0.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -142.89 133.2 12.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.962 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.742 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -74.99 132.58 28.03 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.96 0.001 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.435 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 80.0 p -48.62 -36.79 16.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.967 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.4 m -128.51 135.4 49.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.399 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.742 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -138.25 161.53 31.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.9 m -128.42 106.82 9.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.349 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.69 HD13 HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -110.49 145.32 17.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.337 179.931 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.489 ' O ' ' CD1' ' A' ' 23' ' ' ILE . 3.4 mtpp -73.59 169.49 17.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.83 141.63 40.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.48 -9.09 59.67 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.544 1.152 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -80.99 169.39 17.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 110.303 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.452 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 21.8 pm0 -119.62 164.96 15.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.988 HG22 ' HB3' ' A' ' 3' ' ' ALA . 45.9 t -132.91 131.19 59.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.153 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.427 ' HG2' ' N ' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -105.53 145.1 31.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.279 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.472 ' HZ3' ' HG ' ' A' ' 71' ' ' SER . 3.8 m-90 -122.4 116.45 24.03 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.8 t -84.96 148.26 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.363 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -74.9 158.06 34.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.445 ' ND2' ' C ' ' A' ' 9' ' ' SER . 4.2 m120 -150.46 -174.27 4.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -179.2 4.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.796 ' HG ' HD23 ' A' ' 14' ' ' LEU . 3.2 mm? 66.35 28.71 9.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.374 -179.906 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.515 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -75.12 161.82 75.71 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.53 1.144 . . . . 0.0 109.97 -179.911 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.515 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.01 162.71 92.31 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.04 -2.483 . . . . 0.0 110.961 -0.006 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -130.58 101.23 5.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.564 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 59' ' ' LYS . 3.2 m120 -78.96 168.54 19.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.372 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.41 HD11 ' SD ' ' A' ' 7' ' ' MET . 96.8 mt -142.42 99.38 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.405 HG21 ' HG3' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -115.17 127.32 72.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.595 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -100.95 98.92 9.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.988 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.816 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -74.03 119.07 17.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.57 95.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.405 1.065 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.621 ' O ' HG23 ' A' ' 78' ' ' THR . 0.5 OUTLIER -121.98 87.17 2.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.14 -24.46 32.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.577 1.173 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.514 HG13 ' N ' ' A' ' 49' ' ' ASP . 0.3 OUTLIER -102.25 -179.94 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 109.234 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.514 ' N ' HG13 ' A' ' 48' ' ' VAL . 2.0 m-20 -74.79 169.59 17.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.405 1.066 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -78.04 -65.46 0.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.211 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -49.32 -36.18 20.39 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.496 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 15.7 m -64.62 -38.26 90.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.357 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.91 -8.09 52.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -69.64 -46.3 66.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.415 1.072 . . . . 0.0 109.375 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.33 -51.01 7.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.998 HD21 ' O ' ' A' ' 72' ' ' THR . 0.3 OUTLIER -49.45 -24.56 2.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.412 ' CB ' ' H ' ' A' ' 43' ' ' PHE . 32.0 p -81.83 154.89 25.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -121.19 178.19 4.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.555 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.445 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -151.74 -49.41 0.11 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 179.91 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -40.08 139.49 1.11 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.49 1.119 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.594 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -109.9 128.01 55.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 0.805 . . . . 0.0 109.324 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.436 ' C ' ' CD1' ' A' ' 63' ' ' PHE . . . -95.36 157.31 15.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.393 1.058 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.436 ' CD1' ' C ' ' A' ' 62' ' ' ALA . 2.3 m-85 -136.59 -43.61 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.53 142.09 44.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.243 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.12 61.46 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.59 1.181 . . . . 0.0 109.259 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -178.06 35.38 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -135.97 100.17 4.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.595 0.82 . . . . 0.0 110.298 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 24.0 p -113.36 147.98 36.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.96 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -93.18 176.14 6.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 m -144.62 143.1 30.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 110.366 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.472 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 43.9 p -143.73 154.66 43.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.998 ' O ' HD21 ' A' ' 56' ' ' LEU . 2.3 m -132.0 126.05 33.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 110.419 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.869 ' CD2' HG21 ' A' ' 97' ' ' VAL . 2.8 m-85 -98.12 67.86 1.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 -179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 m -50.11 -36.81 31.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.366 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.416 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 3.9 mt-10 -109.05 135.08 20.21 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 18.2 Cg_endo -75.07 121.68 6.7 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 110.937 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -159.6 -142.51 3.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 78' ' ' THR . 8.7 t -145.15 94.85 2.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 110.442 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.764 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 58.0 m-85 -87.66 132.23 34.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 111.019 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.4 m -119.87 114.58 22.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.429 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.84 ' OH ' HG11 ' A' ' 5' ' ' VAL . 27.3 p90 -117.42 145.5 44.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.036 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.816 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -144.95 -179.76 6.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.434 ' HG ' ' CE1' ' A' ' 86' ' ' HIS . 0.5 OUTLIER -79.78 119.66 22.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 108.214 -179.889 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.507 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -49.2 -51.09 59.86 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -75.01 -49.17 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.801 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.434 ' CE1' ' HG ' ' A' ' 83' ' ' CYS . 0.2 OUTLIER -90.96 46.17 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.58 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -62.94 -59.06 5.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.57 64.5 0.27 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.0 -49.64 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.615 0.832 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 153.21 43.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.606 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -145.67 99.2 3.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 110.991 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.535 HG12 ' N ' ' A' ' 93' ' ' GLY . 57.9 t -143.62 167.98 12.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.535 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -149.8 164.32 29.51 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.473 1.108 . . . . 0.0 111.069 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -142.79 149.08 38.19 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.582 0.813 . . . . 0.0 109.295 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.585 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 59.2 t -135.14 126.5 46.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.7 t -109.72 130.14 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.075 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.869 HG21 ' CD2' ' A' ' 73' ' ' PHE . 98.1 t -127.26 147.02 32.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.375 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 -179.969 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.871 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.2 m -135.72 142.43 45.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.59 1.181 . . . . 0.0 110.384 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.489 HG22 HG11 ' A' ' 21' ' ' VAL . 22.1 t -144.67 136.35 21.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 7' ' ' MET . 10.3 mttt -123.54 104.25 8.93 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.443 1.089 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.42 ' O ' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -45.78 174.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 37.38 -136.47 0.73 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.65 154.88 21.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.752 . . . . 0.0 109.986 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.1 67.41 6.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 t -165.06 -69.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.97 40.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.3 129.25 17.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.782 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 pp -90.91 99.11 12.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.6 m -144.05 160.58 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.564 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 22.4 m-85 -95.85 119.1 33.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 9.7 tm-20 -145.36 126.81 7.67 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.56 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -74.96 132.71 28.46 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.043 -2.482 . . . . 0.0 111.021 -0.073 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 98.2 p -56.85 -28.95 62.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.4 m -128.39 124.66 36.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.383 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.56 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -141.81 137.65 31.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 9.6 t -139.86 139.45 36.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 0.0 110.423 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.842 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 4.1 pt -134.04 -177.39 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.223 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -73.24 -179.87 3.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.629 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -100.08 106.85 18.63 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.04 -10.35 7.0 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.577 1.173 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.7 ' HB3' HD12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -86.11 -179.41 6.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 0.731 . . . . 0.0 110.335 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -123.91 179.27 4.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.248 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.871 HG22 ' HB3' ' A' ' 3' ' ' ALA . 44.8 t -144.72 148.18 18.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -121.76 153.66 37.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.481 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 1.9 m-90 -123.92 164.62 18.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 108.034 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.415 ' O ' ' SD ' ' A' ' 7' ' ' MET . 92.7 t -135.84 134.81 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.377 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -74.24 130.57 39.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -119.33 -170.31 1.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.84 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -78.75 177.1 8.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.84 HD12 ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER 72.6 66.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.539 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -98.04 162.78 21.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 0.0 110.03 179.946 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.589 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.2 Cg_endo -74.94 161.25 95.19 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 121.044 -2.482 . . . . 0.0 111.025 -0.053 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -141.09 107.16 5.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.635 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.654 ' HB3' HD13 ' A' ' 61' ' ' LEU . 11.5 p-10 -112.47 162.84 15.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 0.0 109.354 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.467 ' CD1' ' CD1' ' A' ' 31' ' ' TRP . 63.3 mt -125.04 98.54 5.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.505 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -109.87 122.96 65.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.727 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 0.5 OUTLIER -97.12 101.1 12.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 110.975 -179.952 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.853 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -77.39 108.68 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.487 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -41.16 96.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 44' ' ' ALA . 54.6 t0 -119.31 74.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.58 -32.15 6.21 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.665 HG22 ' H ' ' A' ' 49' ' ' ASP . 3.9 p -89.64 179.53 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.547 0.793 . . . . 0.0 109.261 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.665 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -74.65 158.46 33.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -70.86 -70.08 0.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.105 . . . . 0.0 109.25 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.84 -34.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.531 HG22 ' HE2' ' A' ' 79' ' ' TYR . 9.2 m -69.0 -51.65 37.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.487 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -73.29 -9.62 58.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -74.18 -44.06 54.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.58 -53.98 5.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.851 HD11 ' O ' ' A' ' 72' ' ' THR . 0.1 OUTLIER -48.14 -30.03 4.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.8 p -74.86 156.92 35.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.069 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.494 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 73.1 m-70 -128.44 107.54 9.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.62 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.505 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -111.44 39.5 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -97.28 -29.72 7.77 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.436 1.085 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.654 HD13 ' HB3' ' A' ' 40' ' ' ASN . 3.3 mm? 67.92 114.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.498 ' HB2' ' HZ ' ' A' ' 69' ' ' PHE . . . -100.49 129.33 46.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.589 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 12.0 m-30 -123.22 -38.76 2.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.5 138.5 41.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.54 89.55 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.94 48.77 0.04 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.437 1.086 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.39 101.13 6.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 m -97.43 153.08 18.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.923 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.498 ' HZ ' ' HB2' ' A' ' 62' ' ' ALA . 21.5 m-30 -126.06 167.65 15.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.5 m -135.21 151.12 50.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.0 p -142.14 147.03 36.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.03 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.851 ' O ' HD11 ' A' ' 56' ' ' LEU . 48.8 m -98.91 120.34 39.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.402 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.853 ' CZ ' HG11 ' A' ' 95' ' ' VAL . 3.5 m-30 -107.52 57.98 0.62 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.581 HG23 HG22 ' A' ' 72' ' ' THR . 1.2 p -79.2 -66.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.443 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 0.6 OUTLIER -68.22 127.73 93.25 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.36 179.954 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 18.6 Cg_endo -74.96 107.79 2.56 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.493 1.786 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.69 -148.13 4.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.8 m -143.59 104.47 4.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 0.808 . . . . 0.0 110.358 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.667 ' CE2' HD13 ' A' ' 56' ' ' LEU . 44.9 m-85 -94.29 133.41 37.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 111.057 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 36.9 m -115.09 116.73 28.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.394 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.578 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 27.7 p90 -118.2 137.2 53.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.587 1.18 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.853 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -142.21 179.62 6.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 111.04 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.44 ' SG ' ' ND1' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -92.14 126.02 37.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 108.333 179.945 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.473 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 1.6 mt-10 -38.81 -52.95 3.58 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.02 -55.66 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -87.09 49.69 1.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.667 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.422 ' HG3' ' CD1' ' A' ' 82' ' ' TYR . 3.4 ttt180 -80.54 -53.58 6.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.86 33.78 5.44 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.447 1.092 . . . . 0.0 110.948 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -98.27 -28.23 13.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.583 0.813 . . . . 0.0 109.348 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 140.36 -25.07 2.63 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.564 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -83.99 99.39 10.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 0.778 . . . . 0.0 111.02 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.544 HG12 ' N ' ' A' ' 93' ' ' GLY . 87.1 t -145.74 168.39 7.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.544 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -136.99 162.59 25.28 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.42 130.6 42.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 0.783 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.853 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 69.0 t -115.31 142.17 29.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.403 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 22' ' ' THR . 7.5 t -134.87 142.14 41.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.832 HG22 ' CD2' ' A' ' 73' ' ' PHE . 77.3 t -128.6 141.71 45.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.629 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 5.1 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.738 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.8 m -145.23 135.76 24.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 110.406 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.856 HG22 ' HD2' ' A' ' 18' ' ' PRO . 86.7 t -136.23 146.09 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -102.94 156.07 17.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' VAL . 4.6 mtm -103.94 60.36 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.65 -137.68 7.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.5 p -151.97 137.19 17.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 110.011 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -76.86 65.25 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.96 -70.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.82 42.98 0.03 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.32 169.37 17.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.445 HD12 ' HG2' ' A' ' 91' ' ' MET . 1.9 pp -122.23 99.65 6.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 m -145.5 146.97 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.152 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -94.1 111.08 22.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.494 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -141.13 134.87 14.8 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.343 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.856 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.3 Cg_endo -74.98 133.05 29.65 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.05 -0.027 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.43 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 89.3 p -58.07 -36.89 73.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.0 m -117.92 125.04 49.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.652 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.4 m -138.09 131.05 40.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.6 t -129.25 126.7 39.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.433 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.669 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 1.2 pt -128.79 -178.27 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -73.97 176.73 6.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.237 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.796 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -94.72 125.93 39.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 106.41 -18.06 39.14 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -78.58 171.71 14.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 110.275 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.2 pm0 -117.3 175.59 5.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 110.267 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.819 HG21 ' CE2' ' A' ' 73' ' ' PHE . 24.1 t -139.1 145.14 27.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 109.239 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.66 152.72 24.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.4 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 5.8 m-90 -124.11 165.22 17.9 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 7' ' ' MET . 55.9 t -141.78 133.49 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -74.92 164.22 26.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -154.61 -168.34 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.445 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -82.72 -178.62 7.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.227 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.605 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 2.8 mm? 69.13 64.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.6 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -92.5 164.82 21.14 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.027 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.61 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.5 Cg_endo -74.98 162.37 92.98 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.072 -2.47 . . . . 0.0 111.031 0.017 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 1.5 m-70 -145.81 104.58 3.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.559 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -116.81 179.43 4.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.885 HD13 ' CE1' ' A' ' 58' ' ' HIS . 5.3 mt -129.5 102.12 7.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.934 HG13 ' HG2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -117.11 119.34 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.649 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -97.48 98.77 10.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 0.0 111.033 179.957 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.768 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -75.93 116.06 16.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.74 95.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.343 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.4 m-20 -120.9 73.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.67 -19.52 23.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.433 1.083 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.512 HG22 HG21 ' A' ' 52' ' ' THR . 0.4 OUTLIER -107.14 176.18 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.559 0.799 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.429 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -75.29 148.96 38.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.86 -38.88 87.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.36 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.35 -58.53 6.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.578 HG23 ' OH ' ' A' ' 79' ' ' TYR . 1.1 t -56.5 -21.77 28.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.81 -24.37 19.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.9 -47.1 86.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -44.69 34.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.785 HD13 ' OG ' ' A' ' 71' ' ' SER . 1.6 mm? -58.24 -26.45 62.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.3 p -84.38 130.51 34.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.069 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.885 ' CE1' HD13 ' A' ' 41' ' ' ILE . 6.8 p80 -133.66 100.36 4.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 109.591 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.934 ' HG2' HG13 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -71.65 -68.35 0.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.474 ' HA3' ' CZ ' ' A' ' 69' ' ' PHE . . . 35.31 91.52 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.516 1.135 . . . . 0.0 111.05 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.765 HD12 ' HZ ' ' A' ' 63' ' ' PHE . 4.4 mm? -64.09 92.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.756 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.446 ' O ' ' CD1' ' A' ' 63' ' ' PHE . . . -99.54 128.45 45.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.765 ' HZ ' HD12 ' A' ' 61' ' ' LEU . 12.9 m-85 -138.08 40.0 2.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.77 162.79 29.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.45 74.69 6.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 156.08 44.57 0.02 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.79 130.43 55.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.8 m -140.34 130.09 24.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.038 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.474 ' CZ ' ' HA3' ' A' ' 60' ' ' GLY . 15.4 m-85 -107.98 174.76 5.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 3.8 m -139.17 156.3 47.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.404 -179.938 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.785 ' OG ' HD13 ' A' ' 56' ' ' LEU . 17.6 t -141.47 152.36 44.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.947 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.776 ' O ' HD11 ' A' ' 56' ' ' LEU . 2.3 m -102.14 104.0 14.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.819 ' CE2' HG21 ' A' ' 29' ' ' VAL . 5.4 m-30 -94.0 60.78 2.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.554 HG23 ' CG2' ' A' ' 72' ' ' THR . 3.2 p -81.43 -70.27 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.432 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.97 125.15 68.83 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 100.96 1.41 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.452 1.764 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -149.02 -146.51 4.34 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.6 m -145.72 91.96 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 110.384 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.649 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 72.8 m-85 -82.5 141.32 32.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 43.7 m -124.14 112.9 17.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.385 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.67 ' OH ' HG11 ' A' ' 5' ' ' VAL . 29.8 p90 -115.89 126.66 54.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.768 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -126.47 179.89 5.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.442 ' SG ' ' ND1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER -85.63 146.04 27.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 108.309 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.532 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 1.8 mt-10 -69.3 -49.46 23.4 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.98 -43.23 0.41 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.582 1.833 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.422 ' CE1' ' HG2' ' A' ' 85' ' ' PRO . 1.4 m80 -96.65 37.14 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.627 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.8 114.85 7.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 69.92 19.25 75.14 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -81.89 -29.45 32.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 0.732 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 151.1 -48.92 0.55 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.445 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -76.01 103.04 5.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 111.015 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.517 HG22 ' N ' ' A' ' 93' ' ' GLY . 2.3 p -146.43 166.66 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.517 ' N ' HG22 ' A' ' 92' ' ' VAL . . . -131.21 157.08 22.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.553 1.158 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -137.9 107.98 6.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.59 0.818 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.484 HG11 ' CE2' ' A' ' 73' ' ' PHE . 25.3 t -80.56 153.92 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.7 t -143.57 100.51 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.172 . . . . 0.0 109.244 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.445 HG22 ' HB3' ' A' ' 73' ' ' PHE . 87.0 t -92.3 141.84 13.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.796 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 22.8 t70 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.611 ' HB3' HG21 ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.4 HG23 ' HB3' ' A' ' 30' ' ' LYS . 18.7 m -91.34 158.17 16.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.483 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.561 HG22 ' HD2' ' A' ' 18' ' ' PRO . 2.9 t -143.48 120.99 6.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.551 ' HE2' HG21 ' A' ' 32' ' ' VAL . 6.7 mttt -96.48 135.53 38.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.415 ' O ' ' C ' ' A' ' 8' ' ' GLY . 39.1 mtm -101.96 177.75 4.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 111.112 179.917 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 7' ' ' MET . . . 36.77 92.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 8' ' ' GLY . 87.2 p -38.27 144.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 110.056 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -73.78 58.77 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 t -147.04 -61.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.991 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.88 42.85 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.24 141.75 28.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.425 HD23 ' H ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -90.61 98.47 11.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.7 m -147.39 142.21 19.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.225 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.607 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 96.6 m-85 -87.19 123.01 31.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HA ' ' N ' ' A' ' 19' ' ' SER . 2.7 tm-20 -145.25 128.4 8.37 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.508 1.13 . . . . 0.0 110.351 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.561 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.2 Cg_endo -75.05 129.88 19.83 Favored 'Cis proline' 0 C--N 1.361 1.225 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.022 0.028 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.447 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 1.7 p -55.9 -39.66 71.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.993 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.9 m -117.8 130.02 56.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.396 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.514 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -144.04 136.02 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.1 m -114.29 102.57 10.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.611 HG21 ' HB3' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -107.8 170.57 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.227 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.53 173.99 10.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.33 145.51 25.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.2 -15.97 46.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.28 -179.83 4.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.482 ' OE2' HG23 ' A' ' 70' ' ' THR . 2.9 pt-20 -118.72 171.01 8.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.153 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.747 HG12 ' CZ3' ' A' ' 31' ' ' TRP . 25.2 t -138.65 121.75 19.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.4 ' HB3' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -92.68 153.01 19.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.747 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 1.6 m-90 -128.19 116.71 20.32 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.551 HG21 ' HE2' ' A' ' 6' ' ' LYS . 75.8 t -90.03 124.54 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.515 ' ND2' ' HB1' ' A' ' 62' ' ' ALA . 48.7 t30 -78.82 150.29 32.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -144.73 -152.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.44 ' HB3' HD22 ' A' ' 36' ' ' LEU . 5.7 mmtm -74.75 -179.28 4.07 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.56 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.4 mm? 68.06 46.35 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 179.927 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.519 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -92.49 161.96 30.99 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.464 1.103 . . . . 0.0 109.996 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.519 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.93 158.26 99.09 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.022 -0.08 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.457 ' CE1' ' SG ' ' A' ' 83' ' ' CYS . 0.5 OUTLIER -129.92 100.02 5.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.605 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -88.37 177.43 6.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.527 HD13 ' CD1' ' A' ' 31' ' ' TRP . 5.7 mt -145.15 99.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.245 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.479 HG13 ' HG2' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -115.61 120.83 65.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.61 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -92.56 99.93 12.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 111.03 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.959 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -75.74 114.17 14.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.426 ' HB2' ' HA ' ' A' ' 50' ' ' ALA . . . -46.78 95.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 44' ' ' ALA . 7.3 m-20 -118.67 81.23 1.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.66 -34.91 5.34 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.659 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -89.75 -179.83 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.472 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -74.94 147.95 40.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.426 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . . . -62.67 -69.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.632 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 48.6 m-20 -40.55 -38.16 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.759 HG22 ' HE2' ' A' ' 79' ' ' TYR . 3.1 m -62.53 -68.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.411 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -51.78 -22.25 3.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -64.06 -50.88 66.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.907 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -63.73 -35.95 82.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.489 HD11 ' O ' ' A' ' 72' ' ' THR . 6.4 mp -77.86 -19.65 54.44 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 -179.926 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 53' ' ' ALA . 4.2 m -74.84 126.16 30.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.026 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.566 ' CE1' ' O ' ' A' ' 70' ' ' THR . 89.6 m-70 -107.88 101.38 10.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.479 ' HG2' HG13 ' A' ' 42' ' ' VAL . 9.7 mttt -97.24 31.29 2.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -84.12 -148.79 9.22 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.827 HD13 ' H ' ' A' ' 62' ' ' ALA . 0.2 OUTLIER -143.3 164.97 28.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 0.792 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.827 ' H ' HD13 ' A' ' 61' ' ' LEU . . . -137.53 98.67 3.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.68 ' CD1' ' CD1' ' A' ' 61' ' ' LEU . 2.1 m-85 -132.08 33.32 3.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.092 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.9 139.9 27.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.43 88.13 6.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.82 -19.47 1.12 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.593 1.183 . . . . 0.0 111.033 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.44 156.27 35.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.771 . . . . 0.0 110.289 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 35.8 m -145.46 -179.64 6.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.419 1.074 . . . . 0.0 109.965 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.582 ' CD1' ' N ' ' A' ' 69' ' ' PHE . 0.2 OUTLIER -130.86 134.82 47.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.566 ' O ' ' CE1' ' A' ' 58' ' ' HIS . 2.3 m -112.29 145.67 39.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.447 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.6 p -132.1 159.86 37.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.075 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.489 ' O ' HD11 ' A' ' 56' ' ' LEU . 27.5 m -110.7 114.59 28.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.999 ' CZ ' HG11 ' A' ' 95' ' ' VAL . 6.1 m-30 -93.8 43.36 1.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 m -50.62 -67.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.373 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.19 128.18 63.42 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 147.84 34.3 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 171.38 -150.19 13.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.543 1.152 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 m -132.4 93.84 3.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 110.41 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.759 ' HE2' HG22 ' A' ' 52' ' ' THR . 87.3 m-85 -91.23 137.03 32.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.2 m -114.84 115.39 26.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.386 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.753 ' CE1' HG23 ' A' ' 95' ' ' VAL . 33.1 p90 -114.69 139.45 49.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.959 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -144.51 179.82 7.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 111.023 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 1.22 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 12.7 m -78.75 131.68 36.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.328 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.552 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -61.82 -48.85 88.28 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.28 -179.968 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.97 -43.63 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.793 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -93.29 42.22 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.6 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -83.65 50.03 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 155.68 56.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.108 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.44 -49.81 0.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 0.766 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 149.83 43.91 0.03 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 1.22 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.2 OUTLIER -145.42 99.65 3.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.737 . . . . 0.0 110.958 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.545 HG12 ' N ' ' A' ' 93' ' ' GLY . 58.1 t -146.9 168.94 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.545 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -135.43 172.75 22.02 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.16 116.21 8.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 0.812 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.999 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 77.4 t -104.03 138.83 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.3 t -130.87 112.98 23.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.792 HG22 ' CD2' ' A' ' 73' ' ' PHE . 99.3 t -90.21 143.42 11.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.736 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.3 m -133.59 141.27 47.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.389 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.569 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 9.1 t -139.57 148.33 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 8' ' ' GLY . 12.4 mttt -128.33 121.98 30.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.42 61.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 111.044 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 6' ' ' LYS . . . 126.46 -164.35 20.06 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.14 162.71 20.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 0.767 . . . . 0.0 109.958 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -90.56 38.87 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.32 -74.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.08 . . . . 0.0 109.993 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.92 43.77 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.46 100.98 4.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.754 HD11 ' CE1' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -74.68 100.08 3.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 m -145.19 173.22 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.551 ' CE2' ' HE2' ' A' ' 91' ' ' MET . 1.9 m-85 -108.27 106.45 16.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.507 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -141.5 133.84 13.93 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.391 1.057 . . . . 0.0 110.298 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.846 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.06 134.4 35.74 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.958 -2.518 . . . . 0.0 110.995 0.043 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.407 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 1.7 t -61.72 -22.41 65.34 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.486 1.116 . . . . 0.0 110.069 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -140.19 118.98 12.45 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.846 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.1 m -118.15 149.72 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.9 m -136.1 126.72 27.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.736 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 1.1 pp -142.35 179.97 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.676 ' O ' HD12 ' A' ' 23' ' ' ILE . 22.7 mmtt -77.92 177.68 8.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.432 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -98.55 91.76 5.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.58 1.175 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.06 -18.23 2.14 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.482 1.113 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.516 ' HB3' HD13 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -75.04 171.32 14.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 0.734 . . . . 0.0 110.226 -179.943 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 29' ' ' VAL . 0.7 OUTLIER -118.82 142.16 47.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.327 179.975 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.658 HG21 ' CE2' ' A' ' 73' ' ' PHE . 80.5 t -109.1 144.3 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 13.9 ttpt -115.63 152.96 32.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.377 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.569 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 7.1 m-90 -120.57 169.55 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.9 t -135.32 126.39 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.253 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -74.34 152.49 39.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -136.07 -156.02 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -103.3 -179.17 3.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.353 179.947 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.453 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 1.2 mp 76.57 40.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.612 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -68.18 165.91 29.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.947 -179.98 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.612 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.98 160.09 97.06 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.968 -0.036 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.754 ' CE1' HD11 ' A' ' 14' ' ' LEU . 13.0 m-70 -145.83 122.99 11.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.62 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.464 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 4.9 p-10 -136.84 161.35 36.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.731 HG22 ' CE1' ' A' ' 43' ' ' PHE . 3.6 mt -116.86 98.75 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.922 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -101.63 130.6 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.731 ' CE1' HG22 ' A' ' 41' ' ' ILE . 2.2 m-85 -97.45 101.94 13.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.687 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -81.32 103.26 10.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' ALA . . . -39.72 97.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' ALA . 10.3 m-20 -125.45 77.02 1.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.4 -32.93 5.2 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.624 HG13 ' N ' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -92.67 -178.74 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.261 -179.951 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.624 ' N ' HG13 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -74.31 169.57 17.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.44 -70.54 0.44 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.62 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -47.2 -37.71 10.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.509 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 3.4 m -59.29 -60.46 3.83 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.481 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -63.82 -20.63 65.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -61.45 -54.35 44.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -65.38 -37.1 85.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.889 HD11 ' O ' ' A' ' 72' ' ' THR . 0.3 OUTLIER -77.96 -7.17 56.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.563 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -85.48 115.94 23.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.919 -179.914 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.732 ' CE1' ' CD1' ' A' ' 69' ' ' PHE . 4.3 m-70 -91.16 98.66 11.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.619 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -103.19 27.17 7.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.71 132.08 10.81 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 5.1 mp -82.01 134.17 35.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -131.59 111.85 12.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 7.5 m-85 -124.98 50.55 1.74 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 111.044 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.37 145.14 36.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.73 62.16 5.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.177 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.35 42.02 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.55 1.156 . . . . 0.0 111.037 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -115.85 128.53 55.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 0.0 110.335 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 75.0 m -130.93 129.78 42.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.075 . . . . 0.0 109.966 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.732 ' CD1' ' CE1' ' A' ' 58' ' ' HIS . 1.0 OUTLIER -97.73 167.94 10.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 111.032 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.429 ' O ' ' NE2' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -140.31 138.84 35.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 -179.969 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.54 ' HG ' ' HE1' ' A' ' 73' ' ' PHE . 1.5 t -138.35 127.95 24.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.889 ' O ' HD11 ' A' ' 56' ' ' LEU . 20.3 m -76.2 125.01 28.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.702 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.9 m-30 -104.13 44.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 m -64.32 -65.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.388 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.91 123.9 88.21 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.581 1.176 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 134.85 18.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.446 1.761 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 168.74 -163.54 37.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.533 1.145 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 88.6 m -115.03 116.08 27.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 0.721 . . . . 0.0 110.412 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.61 ' CE1' HG11 ' A' ' 48' ' ' VAL . 76.4 m-85 -107.51 96.55 6.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.4 m -80.81 111.88 17.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.367 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.537 ' CE1' HG23 ' A' ' 95' ' ' VAL . 31.6 p90 -118.53 136.59 53.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.687 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -141.54 -179.55 6.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.627 1.205 . . . . 0.0 110.973 179.967 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.459 ' SG ' ' ND1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER -85.52 155.51 21.17 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.514 1.133 . . . . 0.0 108.249 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.472 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 2.3 mt-10 -79.29 -55.81 0.87 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.1 . . . . 0.0 110.284 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.472 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.99 -25.81 11.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.55 1.816 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.571 ' CE1' ' CE1' ' A' ' 39' ' ' HIS . 8.3 m80 -110.67 27.45 9.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.614 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.427 ' HG3' ' CD1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -67.24 70.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 86' ' ' HIS . . . 121.82 38.59 0.61 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.103 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -110.52 29.28 7.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 0.789 . . . . 0.0 109.376 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 89.39 -14.14 61.89 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.551 ' HE2' ' CE2' ' A' ' 16' ' ' PHE . 9.5 ptm -107.32 120.54 42.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.543 HG12 ' N ' ' A' ' 93' ' ' GLY . 84.3 t -146.81 167.86 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.363 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.543 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -131.14 146.83 18.18 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.515 1.134 . . . . 0.0 111.045 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -138.76 98.58 3.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.537 HG23 ' CE1' ' A' ' 81' ' ' TYR . 2.3 t -79.25 154.57 4.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.23 -179.906 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.0 t -144.55 120.81 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.702 HG22 ' CD2' ' A' ' 73' ' ' PHE . 21.5 t -111.74 140.81 29.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.432 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 22.6 t0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 1.068 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.7 m -78.43 126.99 31.55 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.377 1.048 . . . . 0.0 110.457 179.925 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 31' ' ' TRP . 88.3 t -143.91 101.84 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 143.34 34.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -71.37 -55.82 7.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.15 -133.21 7.9 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.469 1.106 . . . . 0.0 111.031 179.933 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -150.57 150.11 30.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.743 . . . . 0.0 109.982 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.84 66.15 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.906 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.09 -74.06 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.49 41.26 0.02 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.522 ' N ' HD11 ' A' ' 36' ' ' LEU . . . -145.64 125.81 13.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.847 ' CD1' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -74.23 98.48 3.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.7 m -137.74 132.15 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.572 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 35.6 m-85 -80.88 116.08 20.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 1.09 . . . . 0.0 110.969 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.471 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 4.7 tt0 -145.15 131.1 9.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.706 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.02 131.82 25.51 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 121.043 -2.482 . . . . 0.0 111.015 0.025 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.438 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 66.5 p -52.13 -37.13 53.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -124.93 128.4 48.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.706 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -131.8 148.13 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.0 m -136.87 100.74 4.39 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.611 1.194 . . . . 0.0 110.372 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.926 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.1 pt -110.05 -179.66 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.472 ' O ' HD12 ' A' ' 23' ' ' ILE . 6.6 mmtt -75.68 174.76 9.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.662 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -95.27 120.04 34.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.85 -24.61 8.85 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.459 1.1 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.02 177.42 6.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.774 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.38 170.1 11.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.38 179.936 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.068 HG22 ' HB3' ' A' ' 3' ' ' ALA . 4.1 t -131.62 130.63 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 ttpp -97.17 158.25 15.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.496 ' O ' ' CB ' ' A' ' 68' ' ' SER . 4.4 m-90 -125.16 155.72 39.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 107.968 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.8 t -142.14 112.97 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -74.96 149.42 39.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -123.31 -77.42 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -145.26 -179.73 6.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.847 HD22 ' CD1' ' A' ' 14' ' ' LEU . 0.7 OUTLIER 65.03 65.57 0.59 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.581 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -95.89 164.14 19.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.0 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.581 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.97 164.21 88.93 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.955 -2.519 . . . . 0.0 110.984 -0.077 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -136.36 99.9 4.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.622 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.8 OUTLIER -110.11 165.99 11.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.244 -179.954 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.1 mp -120.55 101.47 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.162 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.469 ' CG1' ' HG2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -108.4 119.04 57.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.668 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 0.6 OUTLIER -98.01 107.56 20.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 111.003 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.898 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -86.36 114.22 22.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.496 ' HB2' ' HA ' ' A' ' 50' ' ' ALA . . . -41.35 96.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.7 OUTLIER -125.28 62.97 1.17 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 -179.962 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.18 -19.56 6.79 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.735 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -110.33 177.31 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.47 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -76.51 135.87 39.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.941 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.496 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . . . -55.25 -45.93 76.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.538 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -55.9 -58.35 8.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.944 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.488 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -55.89 -33.95 65.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.413 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -77.27 -21.45 53.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -64.45 -43.32 94.62 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -71.98 -37.98 69.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.092 . . . . 0.0 109.365 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.958 HD11 ' O ' ' A' ' 72' ' ' THR . 0.6 OUTLIER -75.02 -20.75 59.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.949 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -74.08 137.72 43.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 0.0 109.982 -179.949 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.774 ' CE1' ' CD1' ' A' ' 69' ' ' PHE . 3.2 m-70 -122.83 99.84 6.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.592 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 0.5 OUTLIER -102.19 48.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.54 ' C ' HD22 ' A' ' 61' ' ' LEU . . . -105.75 169.14 15.73 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.553 ' N ' HD22 ' A' ' 61' ' ' LEU . 1.4 mm? -105.19 120.91 42.7 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.545 0.791 . . . . 0.0 109.243 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -111.58 107.99 17.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 7.1 m-85 -121.88 -43.01 2.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.59 110.73 13.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.583 1.177 . . . . 0.0 109.284 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.97 98.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 163.22 -27.22 0.23 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -74.37 114.61 12.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 110.354 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 2.3 p -111.95 121.01 43.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.572 1.17 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.774 ' CD1' ' CE1' ' A' ' 58' ' ' HIS . 1.3 m-85 -82.37 177.0 8.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.0 m -145.21 155.54 43.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.354 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.469 ' OG ' HD23 ' A' ' 56' ' ' LEU . 15.9 t -139.21 139.75 37.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.011 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.958 ' O ' HD11 ' A' ' 56' ' ' LEU . 27.1 m -91.04 111.21 22.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.443 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.793 ' O ' HG11 ' A' ' 97' ' ' VAL . 4.3 m-30 -95.97 41.57 1.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -67.54 -63.44 1.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.26 119.42 45.83 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.362 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 107.1 2.41 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.535 1.808 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.37 -141.15 3.06 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 78' ' ' THR . 15.3 t -145.32 103.33 3.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 0.73 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.735 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 92.9 m-85 -96.86 137.54 35.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.4 m -116.54 116.06 26.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.592 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 28.0 p90 -118.45 137.03 53.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 111.063 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.898 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -135.71 178.67 6.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' ARG . 0.1 OUTLIER -77.96 127.7 32.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 108.26 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.536 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -61.75 -49.3 86.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.947 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.0 Cg_endo -75.07 -36.0 2.77 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.459 1.768 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -105.4 36.47 2.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.617 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' CYS . 3.9 ppt_? -68.8 -12.33 61.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 110.261 -179.912 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -140.49 54.87 0.64 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.4 -46.33 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 0.82 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 142.59 45.54 0.05 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.572 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 2.2 ttt -145.09 103.6 3.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.543 HG12 ' HB3' ' A' ' 82' ' ' TYR . 16.7 m -145.79 178.35 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -157.98 156.52 27.42 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.58 1.175 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -119.35 169.54 9.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.668 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 45.7 t -145.0 145.41 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.7 t -140.86 103.1 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.793 HG11 ' O ' ' A' ' 73' ' ' PHE . 59.3 t -92.77 141.17 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.662 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 1.081 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.1 m -137.15 126.33 24.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.362 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.834 HG22 ' HD2' ' A' ' 18' ' ' PRO . 48.9 t -137.33 160.78 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.445 ' CG ' ' HB ' ' A' ' 32' ' ' VAL . 8.5 mttt -127.9 154.32 45.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.5 ptp -94.1 28.37 2.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . 175.96 -136.56 3.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.451 1.094 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.98 157.05 41.21 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.45 0.735 . . . . 0.0 109.973 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.56 70.72 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.68 -70.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.977 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.54 44.02 0.02 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.0 130.12 18.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 0.715 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.694 HD12 ' HG3' ' A' ' 91' ' ' MET . 1.4 pp -74.93 101.02 4.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.4 m -137.73 172.95 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.607 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 21.9 m-85 -123.72 111.06 15.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.537 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 19.7 tt0 -145.61 135.14 11.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 110.33 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.834 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.5 Cg_endo -74.95 136.91 47.38 Favored 'Cis proline' 0 C--N 1.359 1.097 0 C-N-CA 121.047 -2.48 . . . . 0.0 110.971 0.04 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.0 p -62.22 -25.1 67.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.03 127.91 33.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.365 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.709 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -135.02 137.67 50.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.935 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.8 m -128.11 112.33 14.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.416 1.072 . . . . 0.0 110.393 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 1.081 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 1.2 pp -117.16 -179.99 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.826 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.73 169.06 18.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.72 143.95 28.07 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.193 -179.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.02 9.18 86.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 0.0 110.954 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.446 ' HB3' HD13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -99.35 -179.65 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 110.333 179.959 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -127.59 148.61 50.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.822 HG22 ' HB3' ' A' ' 3' ' ' ALA . 39.8 t -117.18 149.57 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.9 141.27 52.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.404 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 5.7 m-90 -107.31 179.76 4.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 107.954 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 5' ' ' VAL . 4.9 t -137.34 156.7 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -91.11 155.44 18.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 8' ' ' GLY . 22.2 m120 -147.15 -179.42 6.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.175 . . . . 0.0 109.333 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.688 ' O ' HD12 ' A' ' 36' ' ' LEU . 2.9 mttm -81.19 179.57 7.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.688 HD12 ' O ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER 76.85 61.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.52 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -91.8 161.6 33.34 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 110.03 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.59 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.5 Cg_endo -74.91 159.57 97.78 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.037 -0.054 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.442 ' ND1' ' SG ' ' A' ' 83' ' ' CYS . 0.3 OUTLIER -137.36 117.67 13.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.56 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -112.3 175.26 5.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.8 mt -145.37 107.3 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.699 HG23 ' HB3' ' A' ' 57' ' ' SER . 5.8 p -137.32 120.58 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.615 ' CE1' ' CB ' ' A' ' 81' ' ' TYR . 3.7 m-30 -84.86 158.16 20.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 1.014 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -120.11 141.08 50.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.73 82.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.499 ' O ' HG23 ' A' ' 78' ' ' THR . 1.0 OUTLIER -111.0 78.24 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.49 -26.52 19.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.677 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -95.79 -179.49 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.528 0.781 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.456 ' N ' HG13 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -76.77 150.23 36.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 109.27 -179.95 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.14 -70.33 0.23 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.68 -32.99 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.711 HG22 ' HE2' ' A' ' 79' ' ' TYR . 3.1 m -67.21 -77.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -41.07 -38.78 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.37 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.62 -70.58 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -37.5 72.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.869 HD22 ' CD2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -62.57 -19.39 63.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.699 ' HB3' HG23 ' A' ' 42' ' ' VAL . 4.2 m -88.07 125.41 34.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.026 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.455 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 82.1 m-70 -82.76 101.29 10.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.56 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -92.1 57.37 3.07 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -134.43 179.8 17.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.732 HD12 ' CZ ' ' A' ' 63' ' ' PHE . 3.2 mm? -121.72 130.66 53.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.396 0.703 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -124.89 107.87 11.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.732 ' CZ ' HD12 ' A' ' 61' ' ' LEU . 12.3 m-85 -125.09 51.4 1.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.606 1.191 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.18 140.26 29.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.68 59.84 3.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.073 . . . . 0.0 109.262 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 169.03 40.05 0.03 OUTLIER Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -117.84 133.7 55.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 110.34 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.0 m -137.04 131.99 33.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.455 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 1.3 m-85 -100.03 171.55 7.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.447 ' O ' ' CE1' ' A' ' 58' ' ' HIS . 1.2 p -135.55 136.81 41.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.408 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.5 t -123.51 146.11 48.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.933 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.622 ' O ' HD11 ' A' ' 56' ' ' LEU . 1.2 m -88.66 114.4 25.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.399 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.996 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.2 m-85 -104.3 62.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 111.045 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.48 -55.63 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.412 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -77.76 123.92 86.44 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.254 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 100.38 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.431 1.753 . . . . 0.0 111.035 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -152.41 -139.43 2.92 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 -179.878 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 46' ' ' ASP . 14.6 t -145.53 128.42 16.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 0.794 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.869 ' CD2' HD22 ' A' ' 56' ' ' LEU . 91.1 m-85 -120.59 102.9 8.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.1 p -74.04 100.62 3.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.412 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.896 ' CD1' HG23 ' A' ' 95' ' ' VAL . 50.8 p90 -95.24 131.33 41.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 1.014 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -145.15 -179.73 6.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.984 -179.939 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.458 ' HG ' ' CE1' ' A' ' 86' ' ' HIS . 0.5 OUTLIER -82.03 119.09 23.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 108.35 179.92 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.658 ' HG3' HG11 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -44.62 -49.87 25.31 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 110.32 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.6 Cg_endo -74.97 -50.07 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.46 1.768 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.458 ' CE1' ' HG ' ' A' ' 83' ' ' CYS . 1.6 m170 -87.57 45.22 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.615 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.62 4.73 39.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -157.6 61.76 0.32 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -144.87 -54.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.77 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 159.58 42.08 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.694 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -145.92 99.71 3.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 0.722 . . . . 0.0 111.041 179.97 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.533 HG12 ' N ' ' A' ' 93' ' ' GLY . 73.0 t -145.86 167.27 8.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.417 1.073 . . . . 0.0 109.283 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.533 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -137.36 177.84 19.51 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.27 119.68 9.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 0.753 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.896 HG23 ' CD1' ' A' ' 81' ' ' TYR . 40.2 t -99.73 151.1 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.1 t -142.08 130.87 22.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.228 -179.948 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.996 HG22 ' CD2' ' A' ' 73' ' ' PHE . 54.6 t -116.94 142.29 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.6 t0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.954 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 1.043 ' HB2' HG21 ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.9 m -130.24 129.88 43.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.345 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.653 HG22 ' HD2' ' A' ' 18' ' ' PRO . 81.4 t -132.83 156.36 42.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.77 126.29 43.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.41 ' CG ' ' HA ' ' A' ' 33' ' ' ASN . 9.9 ptp -77.68 53.3 1.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 9' ' ' SER . . . 135.65 134.91 3.39 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 8' ' ' GLY . 0.4 OUTLIER -41.42 162.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.769 . . . . 0.0 110.039 179.945 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -74.24 69.33 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.0 t 71.24 96.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.579 1.174 . . . . 0.0 109.971 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.11 -73.93 0.09 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.21 162.52 36.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.825 HD12 ' SD ' ' A' ' 91' ' ' MET . 0.5 OUTLIER -82.38 100.1 9.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.4 m -143.61 134.34 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.51 ' CE2' ' HG3' ' A' ' 91' ' ' MET . 29.4 m-85 -76.48 120.59 21.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.474 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.4 tp10 -143.05 131.06 11.17 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.865 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.5 Cg_endo -74.93 135.23 39.51 Favored 'Cis proline' 0 C--N 1.359 1.109 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.004 -0.068 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.9 p -53.16 -31.25 41.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.025 179.924 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.2 m -130.69 114.84 15.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.436 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.865 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -119.16 134.7 61.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.6 m -133.24 108.89 9.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 1.043 HG21 ' HB2' ' A' ' 3' ' ' ALA . 6.1 pt -114.38 -179.87 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -75.02 179.27 5.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.467 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -96.78 90.8 5.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.63 -16.73 2.23 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.714 ' HB3' HD12 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -76.34 175.67 8.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.296 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.891 ' OE2' HG23 ' A' ' 72' ' ' THR . 1.9 mp0 -116.59 178.01 4.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.878 HG22 ' HB3' ' A' ' 3' ' ' ALA . 22.3 t -138.06 109.38 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -90.63 123.99 34.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.362 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.573 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 1.4 m-90 -96.71 169.33 9.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 107.942 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 t -145.56 131.46 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.489 ' CG ' ' HB1' ' A' ' 62' ' ' ALA . 49.6 t30 -74.72 140.2 43.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 179.946 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.09 -158.98 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.639 ' C ' HD22 ' A' ' 36' ' ' LEU . 1.2 mmpt? -76.69 -179.54 5.4 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.639 HD22 ' C ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER 72.14 23.23 3.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.578 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -76.94 164.57 58.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.088 179.966 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.578 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.03 160.64 96.23 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 120.98 -2.509 . . . . 0.0 111.041 0.047 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.45 ' ND1' ' SG ' ' A' ' 83' ' ' CYS . 3.1 m-70 -131.73 156.1 46.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 0.0 109.637 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.496 ' OD1' HD23 ' A' ' 61' ' ' LEU . 3.5 m-20 -135.85 169.7 17.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.389 1.056 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.8 mt -141.91 99.31 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -112.91 130.57 66.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.873 ' CD2' HD23 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -104.13 100.81 10.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.98 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.963 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -77.19 129.74 36.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.426 ' HB2' ' HA ' ' A' ' 50' ' ' ALA . . . -51.87 91.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 44' ' ' ALA . 3.8 m-20 -121.04 85.1 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.91 -20.01 52.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.96 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -111.56 -178.79 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.503 0.767 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.547 ' H ' HG22 ' A' ' 48' ' ' VAL . 24.8 m-20 -74.14 166.87 22.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.426 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . . . -77.04 -57.93 3.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.83 -62.75 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.495 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 20.6 m -45.76 -52.16 11.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.381 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.593 ' O ' HD22 ' A' ' 56' ' ' LEU . . . -53.33 -41.51 65.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.421 ' HA ' ' OG ' ' A' ' 57' ' ' SER . . . -78.07 0.47 24.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.496 ' HB3' HD13 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -82.11 -50.26 9.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.873 HD23 ' CD2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -90.01 -1.85 58.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.39 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.453 ' HB3' ' O ' ' A' ' 53' ' ' ALA . 37.4 p -72.24 166.13 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.96 -179.943 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.577 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 92.1 m-70 -145.3 99.65 3.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.623 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -97.43 47.44 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.418 ' O ' ' ND2' ' A' ' 40' ' ' ASN . . . -106.72 -142.05 10.52 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.632 HD22 ' HE1' ' A' ' 63' ' ' PHE . 10.7 mt -149.28 168.96 21.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 0.716 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.489 ' HB1' ' CG ' ' A' ' 33' ' ' ASN . . . -142.93 102.8 4.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.632 ' HE1' HD22 ' A' ' 61' ' ' LEU . 6.1 m-85 -118.34 -48.47 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.1 132.73 36.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.16 89.53 4.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.03 -28.44 0.2 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.569 1.168 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -74.69 133.14 42.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 0.795 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.9 172.42 12.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.577 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 22.4 m-30 -123.82 165.71 16.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 110.95 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.533 ' O ' ' CE1' ' A' ' 58' ' ' HIS . 12.0 m -136.8 151.35 49.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.398 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.526 ' OG ' ' CZ3' ' A' ' 31' ' ' TRP . 2.5 p -143.9 155.88 44.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.405 1.066 . . . . 0.0 109.954 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.891 HG23 ' OE2' ' A' ' 28' ' ' GLU . 25.2 m -114.92 115.99 27.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 110.416 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.825 ' CE2' HG21 ' A' ' 29' ' ' VAL . 6.9 m-30 -99.02 66.83 1.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.498 HG22 ' N ' ' A' ' 75' ' ' GLU . 0.4 OUTLIER -86.68 -53.49 4.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.469 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.498 ' N ' HG22 ' A' ' 74' ' ' THR . 1.2 tp10 -65.75 119.6 61.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 101.23 1.45 Allowed 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.546 1.814 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.69 -145.11 4.07 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.8 m -141.24 110.66 6.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 0.772 . . . . 0.0 110.426 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.96 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 90.5 m-85 -109.22 138.17 45.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 m -121.41 110.43 16.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.177 . . . . 0.0 110.39 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.691 ' CE1' HG23 ' A' ' 95' ' ' VAL . 41.5 p90 -107.29 130.52 54.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.963 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -131.67 -179.55 5.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 179.961 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.45 ' SG ' ' ND1' ' A' ' 39' ' ' HIS . 1.3 t -81.42 135.68 35.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 108.324 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.465 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -62.07 -55.42 41.03 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 110.29 -179.949 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.465 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -75.0 -41.4 0.66 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.484 1.781 . . . . 0.0 111.028 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -96.26 37.4 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.585 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.41 ' CA ' ' O ' ' A' ' 83' ' ' CYS . 7.7 tmm_? -68.61 102.06 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.05 21.57 56.95 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.495 1.122 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.36 -23.03 50.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 148.5 -29.14 1.32 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.595 1.185 . . . . 0.0 110.994 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.825 ' SD ' HD12 ' A' ' 14' ' ' LEU . 14.8 ptm -103.38 122.25 44.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.78 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 93' ' ' GLY . 54.6 t -145.97 165.87 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.5 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -123.99 150.8 17.02 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 tttp -134.32 103.38 5.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 109.255 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.691 HG23 ' CE1' ' A' ' 81' ' ' TYR . 3.0 t -90.93 147.34 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.353 179.917 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.1 t -144.58 116.34 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.429 ' CG1' ' HA ' ' A' ' 25' ' ' ALA . 37.4 t -98.2 144.34 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.467 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 1.016 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 27.4 m -84.4 128.31 34.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.436 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.714 ' CG2' HG11 ' A' ' 21' ' ' VAL . 79.8 t -139.9 100.27 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.0 143.91 45.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.842 ' SD ' HD11 ' A' ' 41' ' ' ILE . 1.4 mpp? -80.42 -63.13 1.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.432 ' HA3' ' CB ' ' A' ' 34' ' ' ASN . . . -88.75 -152.92 26.18 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.424 1.077 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.663 ' HB3' HG22 ' A' ' 15' ' ' VAL . 31.1 p -121.73 158.81 27.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.978 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -88.08 66.94 8.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.0 t -176.39 -69.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.3 44.44 0.04 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.438 1.086 . . . . 0.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -143.03 129.73 20.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 0.744 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.707 HD23 HD13 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -83.71 100.69 11.04 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.663 HG22 ' HB3' ' A' ' 9' ' ' SER . 17.1 m -145.27 131.47 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.221 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.497 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 41.9 m-85 -82.07 116.76 21.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.946 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.8 tt0 -142.75 130.18 11.08 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.675 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.94 132.62 28.15 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.032 -0.096 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.423 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 99.8 p -54.7 -36.47 64.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.005 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.1 m -123.28 121.8 36.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.423 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.714 HG11 ' CG2' ' A' ' 5' ' ' VAL . 1.0 OUTLIER -124.74 144.83 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 m -132.96 100.42 4.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.886 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.1 pt -111.86 -179.7 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.928 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.562 ' O ' HD12 ' A' ' 23' ' ' ILE . 42.7 mmtt -80.54 176.26 9.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.73 134.14 35.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.21 -20.9 45.34 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.97 179.67 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 110.263 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -121.64 178.48 4.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.583 1.177 . . . . 0.0 110.342 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.016 HG22 ' HB3' ' A' ' 3' ' ' ALA . 3.0 t -143.65 116.5 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 109.36 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -82.13 161.03 22.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.606 ' CD1' ' O ' ' A' ' 5' ' ' VAL . 2.4 m-90 -127.49 175.12 8.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 107.964 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.2 t -136.22 131.69 49.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 64' ' ' ALA . 0.5 OUTLIER -75.96 128.04 34.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.432 ' CB ' ' HA3' ' A' ' 8' ' ' GLY . 10.9 m120 -120.42 176.97 5.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.443 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.4 OUTLIER -81.53 174.71 11.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 -179.937 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.707 HD13 HD23 ' A' ' 14' ' ' LEU . 9.3 mt 80.02 70.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.109 . . . . 0.0 109.371 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.523 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -85.43 161.99 49.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 -179.935 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.588 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.3 Cg_endo -74.96 159.77 97.52 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.046 -2.481 . . . . 0.0 110.999 -0.06 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.443 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 0.7 OUTLIER -139.44 108.78 6.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.543 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.42 ' ND2' ' HB2' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -135.67 177.06 8.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.933 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.842 HD11 ' SD ' ' A' ' 7' ' ' MET . 3.8 mp -122.86 102.58 11.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.26 107.83 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.717 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -87.66 109.46 19.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.087 179.927 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.758 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -86.26 112.11 21.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.173 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.11 96.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 1.128 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 44' ' ' ALA . 14.4 p-10 -119.7 73.34 0.96 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.28 -32.01 6.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.018 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -88.8 -179.33 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.77 . . . . 0.0 109.347 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.51 ' O ' HG13 ' A' ' 48' ' ' VAL . 36.1 t70 -74.22 170.14 16.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.11 -64.39 1.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.338 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.786 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -46.73 -44.8 19.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 179.975 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.496 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 87.3 m -56.72 -56.85 16.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.38 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.28 -22.79 63.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.786 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -58.19 -70.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -57.77 -38.62 75.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.258 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.866 HD22 ' CD1' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -54.3 -36.76 64.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.949 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 77.0 p -79.89 132.1 36.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.997 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.753 ' CE1' HD13 ' A' ' 41' ' ' ILE . 7.3 p80 -133.23 99.61 4.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.604 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.75 -82.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 109.327 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.55 -51.11 3.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.449 HD12 ' HZ ' ' A' ' 63' ' ' PHE . 4.1 mm? 68.12 53.51 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.11 135.52 33.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.588 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 7.9 m-85 -126.15 32.47 5.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.446 ' O ' ' ND2' ' A' ' 33' ' ' ASN . . . -120.24 -179.14 3.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -119.71 93.39 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.35 -32.28 0.54 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -74.58 117.91 16.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 0.724 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.7 m -115.47 158.44 22.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.968 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.412 ' HB3' ' ND1' ' A' ' 58' ' ' HIS . 26.3 m-85 -118.74 174.6 6.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.7 m -144.14 155.45 43.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.9 t -136.83 141.48 42.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.5 m -87.81 99.65 12.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.396 1.06 . . . . 0.0 110.324 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.599 ' CB ' HD11 ' A' ' 23' ' ' ILE . 4.5 m-30 -86.78 55.27 3.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.4 m -74.99 -70.24 0.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 110.379 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.43 124.7 83.71 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 113.84 3.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.517 1.798 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -164.92 -158.95 10.78 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.3 m -128.33 94.61 3.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 0.775 . . . . 0.0 110.345 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 1.018 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 98.4 m-85 -89.52 137.42 32.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.3 m -115.99 115.02 25.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.478 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.581 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 30.1 p90 -115.75 124.94 52.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.935 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.758 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -122.99 -178.93 4.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 111.029 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.45 ' SG ' ' ND1' ' A' ' 86' ' ' HIS . 0.5 OUTLIER -83.13 125.02 31.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.419 1.074 . . . . 0.0 108.267 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.518 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.7 OUTLIER -42.94 -50.37 13.58 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.296 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -74.97 -56.32 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.561 ' ND1' HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -80.05 58.02 2.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.595 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.4 70.42 1.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.74 41.79 0.24 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 111.041 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -118.37 -78.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -178.11 34.93 0.08 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.57 1.169 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.497 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -145.46 98.66 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 110.962 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.699 HG13 ' HB3' ' A' ' 82' ' ' TYR . 7.1 t -146.33 168.01 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.438 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -137.87 139.59 10.52 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.408 1.067 . . . . 0.0 111.073 179.944 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.36 147.84 28.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 0.778 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.717 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 51.5 t -121.55 147.69 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.6 t -143.44 104.4 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.415 HG22 ' CD2' ' A' ' 73' ' ' PHE . 59.5 t -99.98 143.26 14.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.334 -180.0 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 1.043 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.0 m -79.34 128.11 32.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.388 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.413 ' CG2' HG11 ' A' ' 21' ' ' VAL . 76.2 t -144.33 118.54 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 137.4 32.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.649 ' HE2' HD11 ' A' ' 41' ' ' ILE . 1.9 ttm -103.51 74.44 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.404 ' O ' ' CG ' ' A' ' 34' ' ' ASN . . . 119.99 104.09 2.02 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.477 1.111 . . . . 0.0 111.075 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.1 p -41.12 150.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.982 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.88 58.94 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.27 -67.74 0.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.13 53.55 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.29 114.16 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.862 ' HB3' HD22 ' A' ' 36' ' ' LEU . 1.1 pt? -74.74 100.44 4.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -145.6 177.55 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 91' ' ' MET . 63.8 m-85 -122.5 103.5 8.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 -179.947 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 1.6 tp10 -137.33 123.78 13.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.535 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.98 143.5 78.0 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.006 -2.498 . . . . 0.0 111.022 -0.058 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 p -74.53 -25.32 59.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 110.029 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.8 m -131.45 124.63 30.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.551 HG21 ' HB1' ' A' ' 3' ' ' ALA . 1.0 OUTLIER -136.96 156.89 35.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.949 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 53.1 m -121.02 104.86 10.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.396 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.569 HD13 HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -108.72 146.36 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.364 179.944 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.522 ' O ' ' CD1' ' A' ' 23' ' ' ILE . 1.0 OUTLIER -73.22 166.61 22.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.966 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.62 149.04 38.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.69 -28.44 6.44 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.41 174.59 9.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -127.4 -179.93 5.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.043 HG22 ' HB3' ' A' ' 3' ' ' ALA . 4.0 t -127.58 161.76 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.464 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 6.4 ttmt -134.73 141.07 46.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.595 ' CG ' HD13 ' A' ' 41' ' ' ILE . 2.1 m-90 -117.78 127.29 53.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.02 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.2 t -110.23 108.74 26.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -75.49 146.56 40.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.373 1.046 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 8' ' ' GLY . 9.9 m120 -123.01 -71.4 0.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -145.12 179.93 7.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.862 HD22 ' HB3' ' A' ' 14' ' ' LEU . 3.1 mp 70.24 57.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.363 -179.948 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.512 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -97.94 161.65 24.9 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 -179.935 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.512 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.95 160.24 96.82 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.093 -2.461 . . . . 0.0 111.003 -0.048 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -134.59 107.48 7.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.609 179.969 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.44 164.72 11.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.649 HD11 ' HE2' ' A' ' 7' ' ' MET . 5.7 mt -128.01 104.85 12.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.88 122.77 61.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.63 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -99.51 99.91 10.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.93 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -74.47 108.69 7.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.558 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -50.31 98.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.1 80.93 1.87 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.99 -27.77 9.36 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.0 HG11 ' CE1' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -97.02 -179.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.485 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -74.07 156.95 36.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.977 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -71.12 -66.66 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.43 -32.9 5.49 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.69 ' O ' HD12 ' A' ' 56' ' ' LEU . 53.6 m -66.99 -43.37 83.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.396 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.558 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -87.54 -4.55 58.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -73.01 -48.54 35.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -79.55 -40.59 29.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.831 HD21 ' CD1' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -59.81 -28.46 67.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.1 p -80.08 161.58 25.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.597 1.185 . . . . 0.0 110.003 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -135.49 99.86 4.34 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.51 1.131 . . . . 0.0 109.618 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -100.93 57.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.853 ' C ' HD22 ' A' ' 61' ' ' LEU . . . -133.86 -168.73 11.89 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.554 1.159 . . . . 0.0 111.047 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.853 HD22 ' C ' ' A' ' 60' ' ' GLY . 2.3 mm? -127.82 156.66 42.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 0.785 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.49 129.58 18.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.486 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 15.2 m-85 -133.39 43.12 2.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.68 106.91 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.24 86.31 1.09 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.79 -32.81 0.13 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.558 1.161 . . . . 0.0 111.074 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -76.21 156.33 33.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 3.3 p -144.16 128.26 17.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.972 -179.952 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -75.07 171.66 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.3 m -141.29 147.66 38.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.81 ' HB2' HD23 ' A' ' 56' ' ' LEU . 90.7 p -145.04 127.04 15.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.676 ' O ' HD11 ' A' ' 56' ' ' LEU . 99.0 m -101.87 136.51 41.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.831 ' CD1' HD21 ' A' ' 56' ' ' LEU . 3.6 m-85 -109.21 80.44 1.32 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.174 . . . . 0.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.7 p -60.71 -54.39 45.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.412 -179.947 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -88.72 126.73 58.77 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.266 179.939 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.16 104.67 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.33 -142.43 3.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.4 m -134.9 102.29 5.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 1.0 ' CE1' HG11 ' A' ' 48' ' ' VAL . 98.2 m-85 -97.25 140.16 32.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 111.084 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 p -121.73 111.91 17.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.399 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.623 ' HE1' HG23 ' A' ' 95' ' ' VAL . 39.6 p90 -110.18 142.11 42.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.93 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -144.98 173.17 12.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 -179.969 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 1.108 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 57.3 m -79.62 129.16 34.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 108.316 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.489 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -54.68 -52.33 71.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.341 179.964 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.09 -47.34 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.785 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.454 ' CE1' ' CE1' ' A' ' 39' ' ' HIS . 0.1 OUTLIER -98.01 46.11 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.622 179.949 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.478 ' CA ' ' O ' ' A' ' 83' ' ' CYS . 10.9 ttt180 -66.68 -46.65 74.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.38 39.38 2.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -92.3 -78.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -176.45 33.57 0.08 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.467 1.105 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 1.108 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER -145.66 117.2 8.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 111.046 179.994 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.47 HG12 ' N ' ' A' ' 93' ' ' GLY . 25.0 t -145.67 166.15 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.226 -179.941 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.52 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -143.87 151.65 23.54 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.21 110.07 8.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.623 HG23 ' HE1' ' A' ' 81' ' ' TYR . 55.6 t -98.91 141.57 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.9 t -125.25 134.62 66.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.72 HG21 ' CD2' ' A' ' 73' ' ' PHE . 97.5 t -128.48 147.88 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.963 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.549 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.9 m -144.15 129.34 18.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.422 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.88 HG22 ' HD2' ' A' ' 18' ' ' PRO . 64.3 t -135.19 126.43 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.632 1.207 . . . . 0.0 109.244 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -97.72 145.01 26.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.497 ' O ' ' CG ' ' A' ' 7' ' ' MET . 0.6 OUTLIER -109.69 101.04 9.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.935 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.509 ' HA3' HD12 ' A' ' 36' ' ' LEU . . . 108.77 93.8 2.3 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.5 p -49.26 143.29 6.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 0.781 . . . . 0.0 110.015 -179.94 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -77.02 58.84 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.4 t -148.06 -60.66 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.026 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.3 43.48 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.97 117.24 8.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 0.799 . . . . 0.0 109.314 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.835 ' HA ' HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -80.91 100.4 8.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.0 m -144.39 172.22 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.511 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 28.5 m-85 -115.43 105.67 13.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 9.5 mt-10 -133.77 133.4 22.3 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.88 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.3 Cg_endo -74.98 132.47 27.66 Favored 'Cis proline' 0 C--N 1.359 1.121 0 C-N-CA 121.089 -2.463 . . . . 0.0 110.958 -0.031 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.435 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 88.0 p -52.41 -36.64 54.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 110.027 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -127.83 138.74 52.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.671 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.1 m -141.67 156.89 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.0 m -124.23 101.58 7.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.117 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.633 HD13 HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -110.25 146.41 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.594 1.184 . . . . 0.0 109.406 179.914 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.498 ' O ' ' CD1' ' A' ' 23' ' ' ILE . 16.5 mttt -73.83 168.7 18.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.383 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.87 145.74 36.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.17 -17.0 40.11 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.536 1.147 . . . . 0.0 110.975 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.49 177.44 8.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -128.34 168.83 14.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.568 ' HB ' ' CZ3' ' A' ' 31' ' ' TRP . 36.1 t -132.88 136.68 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.96 145.7 30.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CZ3' ' HB ' ' A' ' 29' ' ' VAL . 8.4 m-90 -124.86 121.7 35.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.04 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.7 t -106.57 129.35 60.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -97.27 153.38 18.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.591 1.182 . . . . 0.0 109.26 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -135.18 -85.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.85 178.67 6.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.835 HD13 ' HA ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER 79.74 30.53 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 179.969 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.52 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -70.2 161.83 73.35 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 179.976 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.52 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.98 162.44 92.84 Favored 'Cis proline' 0 C--N 1.361 1.206 0 C-N-CA 121.035 -2.485 . . . . 0.0 110.99 -0.003 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.525 ' CE1' ' SG ' ' A' ' 83' ' ' CYS . 0.6 OUTLIER -139.6 103.12 4.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.649 179.927 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -119.23 141.83 48.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 58' ' ' HIS . 13.0 mm -93.25 98.27 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.788 HG13 ' HG3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -101.9 101.17 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.63 ' CE2' ' CB ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -65.68 125.21 24.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 -179.969 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -104.75 100.0 9.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.18 98.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -122.48 60.49 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.5 -17.24 8.39 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.575 1.172 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.1 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -102.32 178.88 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.28 -179.939 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.472 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -83.84 139.15 32.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.947 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -56.51 -52.09 66.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.461 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 4.4 m-20 -46.06 -54.91 7.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.915 ' O ' HD12 ' A' ' 56' ' ' LEU . 34.4 m -55.9 -35.24 66.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 179.969 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.437 ' HB1' ' HB3' ' A' ' 43' ' ' PHE . . . -76.31 -24.41 54.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.578 1.174 . . . . 0.0 109.287 -179.925 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -67.2 -28.01 67.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.78 -38.32 19.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.915 HD12 ' O ' ' A' ' 52' ' ' THR . 1.9 mp -84.97 0.44 51.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.244 -179.912 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.2 m -82.02 153.54 26.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.026 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.59 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 86.8 m-70 -144.84 101.91 3.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.563 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.788 ' HG3' HG13 ' A' ' 42' ' ' VAL . 1.7 mtmp? -132.89 30.37 4.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -88.32 15.75 55.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.14 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.691 ' CD1' ' CE2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER 75.93 161.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 0.751 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.586 ' O ' ' CD1' ' A' ' 63' ' ' PHE . . . -145.0 106.23 4.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.691 ' CE2' ' CD1' ' A' ' 61' ' ' LEU . 10.3 m-85 -158.16 44.62 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.606 ' HB3' ' OE2' ' A' ' 67' ' ' GLU . . . -144.55 100.25 3.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.86 117.8 3.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.0 24.59 6.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.606 ' OE2' ' HB3' ' A' ' 64' ' ' ALA . 4.2 mt-10 -112.78 123.18 49.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 110.321 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 6.7 p -126.66 121.54 32.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.59 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 17.6 m-85 -78.96 171.18 15.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.9 m -143.72 147.1 33.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.468 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.728 ' OG ' HD23 ' A' ' 56' ' ' LEU . 9.5 p -143.45 145.65 32.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 110.026 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.777 ' O ' HD11 ' A' ' 56' ' ' LEU . 21.9 m -117.18 135.66 53.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.421 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.799 ' CD2' HG21 ' A' ' 97' ' ' VAL . 3.6 m-85 -104.69 82.14 1.86 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.7 p -52.81 -70.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.592 1.182 . . . . 0.0 110.467 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 0.6 OUTLIER -86.39 142.92 35.77 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 18.2 Cg_endo -75.01 120.31 6.01 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.472 1.775 . . . . 0.0 111.04 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -164.84 -138.8 2.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.724 HG21 ' HE3' ' A' ' 94' ' ' LYS . 20.2 m -143.49 119.91 10.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 0.8 . . . . 0.0 110.411 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 1.1 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 96.9 m-85 -113.29 106.86 15.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.402 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 54.1 m -88.28 110.41 20.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.362 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.597 ' OH ' HG11 ' A' ' 5' ' ' VAL . 39.1 p90 -113.73 131.31 56.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.552 1.158 . . . . 0.0 110.985 179.952 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -130.79 169.23 15.99 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.748 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 20.4 m -77.54 129.57 35.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 108.274 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 3.0 tt0 -63.16 -51.57 68.66 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -75.0 -12.66 21.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.588 1.836 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.83 52.83 1.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.597 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.528 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -67.14 -56.95 7.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.225 -179.96 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.21 48.91 1.25 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.11 45.2 2.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.465 0.744 . . . . 0.0 109.35 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 50.17 39.35 34.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.748 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER -134.69 99.3 4.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.526 0.78 . . . . 0.0 110.962 179.95 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.523 HG12 ' H ' ' A' ' 93' ' ' GLY . 18.5 t -145.9 171.24 4.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.523 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -151.89 138.16 6.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.724 ' HE3' HG21 ' A' ' 78' ' ' THR . 4.4 tttt -126.41 115.86 20.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 0.78 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.01 133.14 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.246 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.6 t -110.92 133.0 57.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.799 HG21 ' CD2' ' A' ' 73' ' ' PHE . 82.7 t -129.23 140.97 47.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.924 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.266 -179.944 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 1.06 ' HB2' HG21 ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 49.7 m -136.36 118.46 15.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.434 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.8 t -125.79 150.12 30.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -140.44 123.48 16.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.7 ptp -84.06 145.72 28.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.962 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' SER . . . 68.32 92.18 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.142 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' GLY . 2.4 m -38.6 149.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -74.08 59.18 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -148.96 -70.46 0.21 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.482 1.114 . . . . 0.0 110.062 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.55 43.05 0.03 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.1 . . . . 0.0 111.067 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.22 150.36 36.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.48 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -97.58 102.26 13.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -143.47 156.75 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.4 1.062 . . . . 0.0 109.316 179.946 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -100.97 111.06 23.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -140.45 123.89 10.31 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.275 179.948 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.69 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.5 Cg_endo -74.99 135.7 41.74 Favored 'Cis proline' 0 C--N 1.361 1.222 0 C-N-CA 121.032 -2.487 . . . . 0.0 111.027 0.028 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.0 p -57.63 -33.27 68.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.015 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.5 m -133.65 131.09 39.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 0.0 110.425 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.69 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -127.59 137.65 57.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.6 m -122.34 101.22 7.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.428 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 1.06 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.1 pp -108.16 -179.02 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.545 1.153 . . . . 0.0 109.36 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.565 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -78.01 179.4 6.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.706 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -98.18 89.0 4.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.62 -14.6 2.23 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.478 ' HB3' HD13 ' A' ' 23' ' ' ILE . 1.6 tp10 -74.71 -179.67 4.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -122.87 173.9 7.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.26 -179.972 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.89 HG22 ' HB3' ' A' ' 3' ' ' ALA . 77.7 t -134.91 159.95 41.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -135.28 147.78 49.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.475 ' CD1' HD13 ' A' ' 41' ' ' ILE . 6.4 m-90 -128.16 143.33 51.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 108.01 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.5 t -132.82 140.24 47.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.17 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -94.9 148.5 22.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -133.75 -88.87 0.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.55 ' HB3' HD22 ' A' ' 36' ' ' LEU . 2.3 mmtt -119.38 -179.7 3.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.63 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 1.7 mm? 60.9 71.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.238 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.587 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -126.17 164.95 30.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 110.008 179.966 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.587 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -74.99 153.46 99.18 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.981 -0.032 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.63 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -142.26 125.15 16.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.582 -179.982 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -103.12 173.68 6.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.173 . . . . 0.0 109.288 179.963 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.475 HD13 ' CD1' ' A' ' 31' ' ' TRP . 81.2 mt -132.97 102.06 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.357 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.475 ' CG1' ' HG2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -104.46 161.59 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.936 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -138.92 97.63 3.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 -179.986 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -77.29 114.29 15.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.16 96.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 44' ' ' ALA . 7.3 p-10 -109.91 66.86 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.82 -26.04 9.15 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.467 1.104 . . . . 0.0 111.075 -179.958 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.037 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -90.42 -179.51 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.524 ' H ' HG22 ' A' ' 48' ' ' VAL . 3.6 m-20 -74.78 170.69 15.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -84.17 -64.78 1.1 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.238 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.62 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 2.0 m-20 -46.17 -39.69 10.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.503 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 19.4 m -60.83 -55.4 33.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.47 -2.8 30.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.94 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -73.33 -48.41 34.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -85.14 -37.43 20.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -32.02 69.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.8 p -79.04 155.83 28.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.0 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.475 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 68.9 m-70 -128.08 100.04 5.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.619 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.475 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -93.8 29.76 1.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -180.0 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.29 -171.89 43.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.615 HD12 ' CE1' ' A' ' 63' ' ' PHE . 0.7 OUTLIER -126.89 146.46 50.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.55 116.67 29.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.615 ' CE1' HD12 ' A' ' 61' ' ' LEU . 17.8 m-30 -124.24 -47.69 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.23 128.97 34.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.35 67.22 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 169.75 41.86 0.03 OUTLIER Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.428 1.08 . . . . 0.0 111.028 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -122.22 101.34 7.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 0.729 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.0 p -104.29 145.09 30.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.933 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.475 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 11.6 m-85 -104.31 172.32 6.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.4 m -144.29 148.92 35.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 110.413 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.4 p -143.32 164.63 29.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.983 -179.966 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.4 m -120.97 113.07 19.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.771 ' CB ' HD11 ' A' ' 23' ' ' ILE . 5.4 m-30 -92.99 68.8 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.8 m -84.59 -60.56 2.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 110.478 179.904 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.5 123.6 88.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 110.77 3.18 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.456 1.767 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.6 -146.52 4.43 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.142 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.5 m -145.14 87.53 1.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 0.754 . . . . 0.0 110.482 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 1.037 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 94.9 m-85 -81.37 143.34 32.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.936 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.0 m -126.52 115.45 19.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.419 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.583 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 28.6 p90 -116.83 135.43 53.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 111.049 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.426 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -142.78 -179.43 6.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 111.026 179.956 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.61 ' SG ' ' CE1' ' A' ' 39' ' ' HIS . 1.7 t -85.35 118.97 25.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 108.355 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 2.9 mt-10 -36.75 -53.69 1.81 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.315 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.1 Cg_endo -75.02 -48.2 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.481 1.779 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -95.76 53.09 1.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 109.501 -179.892 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 83' ' ' CYS . 2.3 ptp180 -82.91 53.89 2.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.72 51.08 0.14 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.485 1.115 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -123.9 26.07 7.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 113.1 -26.94 9.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 91' ' ' MET . 26.0 ptm -109.46 119.75 40.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 0.762 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.546 HG12 ' N ' ' A' ' 93' ' ' GLY . 91.2 t -146.24 168.34 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.546 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -133.15 133.53 7.05 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.426 1.079 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.34 119.36 24.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 109.368 179.937 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.454 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 2.3 t -109.47 144.95 16.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.1 t -140.62 105.41 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.916 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.573 HG22 ' CD2' ' A' ' 73' ' ' PHE . 61.3 t -87.82 141.41 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.706 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 3.5 t0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.935 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.949 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 89.7 m -81.1 130.08 34.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.418 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.722 HG21 HG11 ' A' ' 21' ' ' VAL . 42.1 t -145.18 105.39 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.368 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.56 121.79 22.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -29.51 69.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -122.35 -149.53 7.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 111.064 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -126.38 161.56 27.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 110.004 179.915 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -74.23 68.14 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.3 t 70.83 81.38 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.12 -79.31 0.04 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.547 1.154 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -143.33 179.29 7.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.46 100.06 9.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.4 m -145.05 150.58 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.565 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 64.0 m-85 -91.79 121.09 33.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.468 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 9.7 tt0 -144.23 123.36 7.15 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.301 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.791 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.97 129.25 18.12 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.019 -0.016 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.412 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 46.0 p -51.17 -30.59 17.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.399 1.062 . . . . 0.0 109.961 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.0 m -127.3 110.42 12.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.41 179.965 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.791 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -115.91 132.77 64.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.925 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.6 m -127.03 102.8 7.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.421 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.879 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.5 pt -107.44 179.0 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 0.0 109.352 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -75.81 171.75 13.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.707 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -89.07 126.65 35.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.56 1.162 . . . . 0.0 109.255 -179.925 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.623 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 108.7 -17.61 32.93 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.934 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.429 ' HB3' HD12 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -78.44 -179.62 6.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.803 . . . . 0.0 110.343 179.917 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -123.45 180.0 4.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.949 HG22 ' HB3' ' A' ' 3' ' ' ALA . 2.8 t -144.49 147.98 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.402 1.064 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -120.34 155.73 32.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.411 1.069 . . . . 0.0 109.277 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.634 ' CG ' HD13 ' A' ' 41' ' ' ILE . 19.3 m-90 -134.78 109.78 8.78 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.6 t -74.89 136.08 25.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -75.1 116.78 16.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.597 1.186 . . . . 0.0 109.372 179.954 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -102.99 -174.04 2.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.933 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.788 ' C ' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -75.01 178.36 5.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.788 HD12 ' C ' ' A' ' 35' ' ' LYS . 2.2 mp 74.51 26.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.54 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -64.52 162.46 34.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.023 179.948 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.54 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.01 161.46 94.8 Favored 'Cis proline' 0 C--N 1.361 1.216 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.992 -0.037 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.606 ' HD1' ' HG ' ' A' ' 83' ' ' CYS . 0.8 OUTLIER -139.25 101.77 4.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.618 -179.936 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -101.93 170.09 8.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.634 HD13 ' CG ' ' A' ' 31' ' ' TRP . 6.1 mt -132.73 98.75 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -99.7 118.14 45.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.662 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 0.6 OUTLIER -80.41 93.56 6.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.914 -179.945 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -75.46 108.14 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.923 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.49 99.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -116.63 53.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.12 -7.9 8.06 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.048 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 1.5 p -105.51 -179.61 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.357 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.591 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -76.18 143.38 41.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.599 1.187 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.54 -61.58 2.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.219 -179.977 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.594 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 5.0 m-20 -46.54 -39.39 10.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.956 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.566 HG21 ' OH ' ' A' ' 79' ' ' TYR . 43.3 m -63.43 -53.34 53.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.662 ' HB1' ' O ' ' A' ' 43' ' ' PHE . . . -59.02 -26.51 64.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -59.82 -55.34 35.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -69.65 -32.85 71.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.656 HD12 ' CE1' ' A' ' 79' ' ' TYR . 12.4 mt -82.6 1.13 39.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 2.6 m -101.05 156.09 17.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.971 -179.944 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.508 ' CE1' ' CD1' ' A' ' 69' ' ' PHE . 28.1 m-70 -135.88 98.52 3.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.6 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -94.0 25.0 3.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.43 -162.87 38.62 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 mp -144.03 165.73 26.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.07 123.25 12.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.504 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 11.0 m-85 -129.92 13.54 5.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -129.16 151.9 49.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.13 63.78 5.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.32 37.67 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -135.78 101.28 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 110.289 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 0.9 OUTLIER -112.93 130.62 56.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.508 ' CD1' ' CE1' ' A' ' 58' ' ' HIS . 5.7 m-85 -82.98 171.93 13.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.426 1.079 . . . . 0.0 111.051 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 6.2 m -138.02 152.17 48.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 -179.951 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.438 ' OG ' HD22 ' A' ' 56' ' ' LEU . 41.9 t -142.01 142.83 32.94 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.495 ' O ' HD21 ' A' ' 56' ' ' LEU . 74.6 m -87.05 117.17 25.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.445 1.091 . . . . 0.0 110.367 -179.937 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.78 ' CD2' HD11 ' A' ' 23' ' ' ILE . 3.3 m-30 -104.57 64.1 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.623 HG22 ' HA2' ' A' ' 26' ' ' GLY . 0.7 OUTLIER -90.52 -57.1 2.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.464 179.975 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.21 119.35 64.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.418 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.96 101.22 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.448 1.762 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.68 -154.88 7.56 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.0 m -124.68 126.52 45.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 0.739 . . . . 0.0 110.316 -179.87 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 1.048 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 88.3 m-85 -120.05 105.83 11.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.5 m -80.61 100.18 8.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.418 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.555 ' CE1' ' HA3' ' A' ' 93' ' ' GLY . 20.9 p90 -107.95 132.1 53.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 111.045 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.705 ' HB3' HG13 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -144.19 -179.6 6.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.606 ' HG ' ' HD1' ' A' ' 39' ' ' HIS . 0.4 OUTLIER -83.34 131.06 35.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 108.336 179.982 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.522 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 3.1 mt-10 -46.96 -50.33 45.71 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.03 -57.59 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.495 1.787 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -85.68 68.03 10.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.62 -64.01 1.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 179.931 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.21 50.0 0.86 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.71 -34.07 6.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 147.85 -20.85 1.45 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.565 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -91.16 102.92 15.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 0.747 . . . . 0.0 110.974 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.705 HG13 ' HB3' ' A' ' 82' ' ' TYR . 4.1 t -146.06 149.25 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.555 ' HA3' ' CE1' ' A' ' 81' ' ' TYR . . . -119.19 154.78 16.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.493 1.12 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -127.99 112.65 14.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 0.806 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.596 HG13 ' CE2' ' A' ' 73' ' ' PHE . 2.8 t -95.98 139.85 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.7 t -139.94 110.99 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.611 HG22 ' CD2' ' A' ' 73' ' ' PHE . 93.9 t -93.37 144.81 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.707 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 1.043 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 m -82.93 130.83 35.19 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.536 1.148 . . . . 0.0 110.362 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.6 HG11 ' OH ' ' A' ' 81' ' ' TYR . 70.2 t -144.9 106.7 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.22 138.44 38.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.497 ' CE ' ' O ' ' A' ' 39' ' ' HIS . 1.9 ptm -89.32 43.24 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.387 1.054 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 169.28 -141.39 6.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.394 1.059 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.5 m -156.97 141.36 16.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.055 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -76.8 66.95 2.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.396 1.06 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.83 -79.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.91 41.14 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 111.046 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.72 140.74 28.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.023 HD12 ' SD ' ' A' ' 91' ' ' MET . 0.9 OUTLIER -97.51 98.97 10.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -146.1 149.52 16.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.402 ' CD1' ' HE2' ' A' ' 81' ' ' TYR . 75.1 m-85 -88.18 120.0 29.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 2.8 tt0 -141.97 117.34 6.93 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.252 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.685 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -74.94 138.47 56.27 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.974 -2.511 . . . . 0.0 110.996 -0.068 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.6 p -65.25 -31.52 72.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 0.0 110.003 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.0 m -129.59 123.89 32.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.685 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.2 m -127.3 155.89 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.0 m -138.65 100.74 4.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.378 -179.931 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.907 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.3 pp -108.11 -178.86 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.672 ' O ' HD12 ' A' ' 23' ' ' ILE . 20.6 mmtt -74.37 177.72 5.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.233 -179.929 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.451 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . . . -100.34 91.72 4.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.88 -15.03 2.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.914 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.643 ' HB3' HD13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -75.41 174.54 9.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 110.315 179.955 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.451 ' HG3' ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -119.16 147.49 44.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 110.246 -179.956 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.043 HG22 ' HB3' ' A' ' 3' ' ' ALA . 3.0 t -116.85 140.92 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -120.07 155.02 33.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.243 -179.952 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.403 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 18.6 m-90 -120.76 168.21 11.67 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.3 t -145.23 129.63 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -98.57 134.39 41.58 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -119.72 -73.73 0.63 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.558 1.161 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.04 172.56 12.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.372 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.674 HD22 HD22 ' A' ' 14' ' ' LEU . 0.4 OUTLIER 71.95 71.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 179.969 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -124.62 159.95 55.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.398 1.061 . . . . 0.0 109.991 -179.976 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.851 ' HB2' HD12 ' A' ' 61' ' ' LEU . 18.5 Cg_endo -75.04 157.08 99.8 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.051 -2.479 . . . . 0.0 110.994 0.004 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.618 ' CE1' ' SG ' ' A' ' 83' ' ' CYS . 0.2 OUTLIER -142.24 112.19 6.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 109.594 -179.975 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.41 ' HB3' HD13 ' A' ' 61' ' ' LEU . 1.7 p-10 -96.58 172.06 8.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.538 HG23 ' HB2' ' A' ' 81' ' ' TYR . 25.5 mt -134.25 104.22 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 -179.966 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -107.07 122.2 60.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.407 1.067 . . . . 0.0 109.322 -179.991 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.629 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -94.6 95.89 9.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.878 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -73.85 121.45 20.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.85 99.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -121.25 55.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.935 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 132.54 -13.67 5.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.605 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -112.59 177.96 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 0.782 . . . . 0.0 109.327 179.955 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.504 ' O ' HG13 ' A' ' 48' ' ' VAL . 26.1 t0 -74.59 170.59 15.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 1.069 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -80.06 -70.14 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.24 -179.957 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.627 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 2.9 m-20 -39.55 -38.38 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.631 HG22 ' HE2' ' A' ' 79' ' ' TYR . 6.1 m -63.02 -54.24 41.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.79 -11.54 60.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -63.31 -63.81 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -36.88 83.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.021 HD11 ' O ' ' A' ' 72' ' ' THR . 0.1 OUTLIER -62.89 -30.67 71.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.6 m -74.71 162.2 28.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.952 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.468 ' ND1' ' CD1' ' A' ' 69' ' ' PHE . 82.4 m-70 -140.61 99.76 3.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.621 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -84.89 -51.76 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -43.95 107.2 0.12 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.946 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.851 HD12 ' HB2' ' A' ' 38' ' ' PRO . 4.1 mm? -53.48 -173.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.06 124.07 15.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.214 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.532 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 8.8 m-85 -125.5 45.26 2.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.11 126.1 14.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.47 90.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.24 -179.911 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 130.94 45.21 0.16 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -96.3 127.22 42.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 110.246 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.0 m -132.04 112.19 12.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.014 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.468 ' CD1' ' ND1' ' A' ' 58' ' ' HIS . 1.4 m-85 -87.35 170.13 11.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.451 ' CG2' ' HG3' ' A' ' 28' ' ' GLU . 12.3 m -128.17 151.15 49.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.46 ' OG ' ' CD2' ' A' ' 56' ' ' LEU . 29.0 t -144.46 138.13 27.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.043 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 1.021 ' O ' HD11 ' A' ' 56' ' ' LEU . 17.4 m -97.34 115.32 27.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 110.451 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.709 ' CB ' HD11 ' A' ' 23' ' ' ILE . 3.5 m-30 -96.8 52.32 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.056 179.959 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.0 m -74.18 -65.98 0.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.7 122.52 74.69 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 105.76 2.14 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.447 1.762 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.33 -141.68 3.25 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.939 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 18.6 m -145.01 97.33 3.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.407 0.71 . . . . 0.0 110.401 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.691 ' CD2' HD22 ' A' ' 56' ' ' LEU . 85.9 m-85 -88.11 134.45 33.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 111.088 179.907 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.417 HG22 ' HG2' ' A' ' 94' ' ' LYS . 41.7 p -117.72 109.58 16.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.416 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.611 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 34.3 p90 -110.34 127.68 55.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.878 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -133.77 176.64 8.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 -179.98 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.618 ' SG ' ' CE1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER -84.55 135.9 34.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 108.367 179.931 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.508 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 2.0 mt-10 -56.3 -51.07 83.78 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -75.0 -47.79 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.443 1.76 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.601 ' CE1' HD13 ' A' ' 14' ' ' LEU . 29.5 m80 -92.29 36.66 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.389 1.056 . . . . 0.0 109.566 -179.933 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.549 ' CG ' ' CD1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -74.35 91.34 2.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 -179.945 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.92 12.53 57.71 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -179.938 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.81 -34.53 62.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 0.737 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.56 -35.27 0.17 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 0.0 111.076 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 1.023 ' SD ' HD12 ' A' ' 14' ' ' LEU . 11.4 ptm -96.78 120.8 37.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 0.781 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.603 HG13 ' HB3' ' A' ' 82' ' ' TYR . 3.3 t -147.23 153.46 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.414 ' HA3' ' CE1' ' A' ' 81' ' ' TYR . . . -118.0 151.05 18.09 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.417 ' HG2' HG22 ' A' ' 80' ' ' THR . 0.2 OUTLIER -141.32 93.79 2.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 0.795 . . . . 0.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.666 HG21 ' HZ ' ' A' ' 73' ' ' PHE . 1.4 t -81.08 148.34 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 0.0 109.268 179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.8 t -139.49 112.92 6.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.944 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.497 HG22 ' CD2' ' A' ' 73' ' ' PHE . 26.3 t -93.13 147.62 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.9 t70 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -75.6 130.58 39.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.691 ' HB2' HG21 ' A' ' 23' ' ' ILE . . . -110.32 158.79 18.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.2 m -142.53 126.82 17.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.388 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.938 HG22 ' HD2' ' A' ' 18' ' ' PRO . 79.1 t -129.37 139.71 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.11 132.35 52.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.828 ' CG ' HD11 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -79.01 52.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 110.967 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 162.71 -139.84 6.16 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.494 ' HB3' HG22 ' A' ' 15' ' ' VAL . 86.6 p -156.03 143.41 19.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.17 69.41 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -168.63 -68.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.002 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.85 47.8 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.06 131.53 19.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.0 HD23 HD22 ' A' ' 36' ' ' LEU . 1.7 pp -80.33 100.46 8.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.494 HG22 ' HB3' ' A' ' 9' ' ' SER . 33.8 m -142.85 168.73 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.568 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 29.9 m-85 -118.92 102.19 8.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.491 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.1 tt0 -129.53 135.88 28.23 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.938 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.4 Cg_endo -74.97 133.77 32.89 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.017 0.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.426 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 59.5 p -54.62 -23.18 15.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.962 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.9 m -142.57 129.31 20.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.43 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.84 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -129.46 144.31 38.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.3 m -128.37 119.49 25.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.385 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.71 HD11 ' CB ' ' A' ' 73' ' ' PHE . 1.1 pp -131.35 -179.35 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.593 ' O ' HD12 ' A' ' 23' ' ' ILE . 49.4 mttt -74.56 176.66 6.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.72 92.58 5.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.92 -16.36 2.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.458 1.099 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.453 ' HB3' HD13 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -78.48 172.26 13.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 110.27 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.61 175.97 5.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.555 HG22 ' HB3' ' A' ' 3' ' ' ALA . 88.7 t -142.11 136.95 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -112.42 145.24 40.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 8.8 m-90 -110.27 175.18 5.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 108.006 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.1 t -143.41 145.42 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.737 HD21 ' HB1' ' A' ' 62' ' ' ALA . 0.8 OUTLIER -78.96 145.34 34.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -137.64 -163.04 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -87.39 -179.88 6.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.238 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.0 HD22 HD23 ' A' ' 14' ' ' LEU . 1.2 mp 68.41 32.87 4.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.557 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -74.89 163.11 70.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.011 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.571 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.4 Cg_endo -74.97 163.37 90.86 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.033 -0.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 7' ' ' MET . 1.3 m-70 -130.12 99.81 5.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.578 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 60' ' ' GLY . 7.1 m-20 -83.02 168.11 17.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.828 HD11 ' CG ' ' A' ' 7' ' ' MET . 44.2 mt -145.09 99.93 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.36 120.2 64.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.583 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -90.87 95.75 10.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.881 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -74.73 119.82 19.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.4 95.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.8 OUTLIER -121.26 73.86 1.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.369 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.76 -24.95 13.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.683 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -103.5 -179.69 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.516 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -74.78 170.97 14.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -82.84 -69.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.701 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 4.2 m-20 -43.1 -39.84 2.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.612 HG22 ' HE2' ' A' ' 79' ' ' TYR . 1.5 m -61.49 -61.21 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.412 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.447 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -63.37 -13.54 40.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -65.21 -63.14 1.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -59.09 -27.88 65.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.784 HD11 ' O ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -78.38 -29.47 47.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 53' ' ' ALA . 82.4 p -74.61 155.08 38.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.995 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -132.23 100.15 4.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.621 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -86.23 49.36 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.858 ' C ' HD23 ' A' ' 61' ' ' LEU . . . -118.47 -143.04 7.14 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.858 HD23 ' C ' ' A' ' 60' ' ' GLY . 0.0 OUTLIER -159.78 -176.22 5.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 0.724 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.737 ' HB1' HD21 ' A' ' 33' ' ' ASN . . . -144.91 125.33 13.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 13.1 m-85 -133.32 -43.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.48 131.97 34.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.13 97.13 8.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.57 -25.23 0.44 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -75.79 140.74 42.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 110.321 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.5 m -135.9 164.86 26.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.165 . . . . 0.0 109.988 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -119.78 172.98 7.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.4 m -136.88 150.55 48.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 110.397 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.0 t -145.07 137.67 26.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.969 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.784 ' O ' HD11 ' A' ' 56' ' ' LEU . 15.3 m -93.61 123.01 36.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 110.364 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.71 ' CB ' HD11 ' A' ' 23' ' ' ILE . 4.1 m-30 -103.2 43.75 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.1 m -66.16 -69.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.379 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.5 124.4 75.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.326 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 112.75 3.63 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -166.1 -153.83 7.92 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.47 1.107 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 t -134.6 109.85 8.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 110.393 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.683 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 81.9 m-85 -101.88 133.33 46.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.3 m -118.58 110.9 17.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.427 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.911 ' OH ' HG11 ' A' ' 5' ' ' VAL . 36.3 p90 -110.65 129.79 55.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.881 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -127.09 178.55 5.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 87' ' ' ARG . 0.1 OUTLIER -80.94 126.16 31.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 108.274 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.514 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -61.71 -50.5 81.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.1 Cg_endo -75.01 -16.96 19.91 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.477 1.777 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.99 45.48 2.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.586 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.2 OUTLIER -76.24 -0.43 22.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.255 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -151.0 59.08 0.43 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.53 -50.34 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 146.97 46.28 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.568 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -143.58 99.27 3.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 111.014 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.518 HG22 ' N ' ' A' ' 93' ' ' GLY . 3.0 p -145.95 167.32 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.518 ' N ' HG22 ' A' ' 92' ' ' VAL . . . -141.74 158.1 26.52 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.85 144.07 50.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.744 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.556 HG13 ' CE2' ' A' ' 73' ' ' PHE . 24.5 t -125.08 150.57 30.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.5 t -144.77 116.12 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.625 HG11 ' O ' ' A' ' 73' ' ' PHE . 35.3 t -105.2 142.87 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -144.86 178.19 8.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.339 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.966 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -77.03 120.24 21.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.6 m -75.49 128.2 34.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.678 HG13 ' HD2' ' A' ' 18' ' ' PRO . 34.3 t -145.11 101.37 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -82.02 127.01 32.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.547 1.155 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.419 ' HB2' ' CE1' ' A' ' 16' ' ' PHE . 0.6 OUTLIER -94.96 37.1 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 177.8 136.85 2.6 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.7 p -77.06 134.14 38.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 110.016 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.416 ' OD1' ' ND2' ' A' ' 34' ' ' ASN . 16.0 m-20 -74.8 64.04 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.14 -72.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.022 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.08 38.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.43 1.081 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.07 157.74 44.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 0.782 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.817 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -104.61 100.55 10.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.24 -179.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.0 m -139.88 132.15 34.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.58 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 31.3 m-85 -83.47 118.62 23.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 111.088 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.7 tt0 -138.12 134.02 17.64 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.288 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.931 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.0 132.31 27.14 Favored 'Cis proline' 0 C--N 1.361 1.209 0 C-N-CA 121.06 -2.475 . . . . 0.0 110.971 0.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.451 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 15.8 t -44.3 -37.4 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.013 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -131.55 109.83 10.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.354 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.931 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -105.65 131.86 54.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.711 HG23 HG12 ' A' ' 96' ' ' VAL . 24.7 m -122.33 102.86 8.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.602 1.189 . . . . 0.0 110.359 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.905 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.3 pt -116.33 -179.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.257 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.54 172.93 12.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.24 126.66 36.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.16 -4.61 41.29 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.468 1.105 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.482 ' HB3' HD12 ' A' ' 23' ' ' ILE . 2.0 tt0 -88.9 -179.79 6.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 2' ' ' ASN . 0.5 OUTLIER -127.88 151.65 48.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.966 HG22 ' HB3' ' A' ' 3' ' ' ALA . 5.6 t -122.32 119.36 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.71 147.36 26.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.623 ' CG ' HD13 ' A' ' 41' ' ' ILE . 3.0 m-90 -123.33 122.68 38.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.1 t -87.03 134.92 26.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.439 1.087 . . . . 0.0 109.359 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -77.74 116.66 18.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.358 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.416 ' ND2' ' OD1' ' A' ' 10' ' ' ASP . 1.7 t-20 -103.24 -167.19 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -76.15 175.36 9.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.247 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.817 HD13 ' HB3' ' A' ' 14' ' ' LEU . 0.3 OUTLIER 77.9 69.82 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.525 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -114.67 161.89 26.46 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 110.034 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.525 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.05 140.51 67.69 Favored 'Cis proline' 0 C--N 1.359 1.116 0 C-N-CA 120.932 -2.528 . . . . 0.0 111.004 0.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.669 ' H ' ' HB3' ' A' ' 62' ' ' ALA . 0.6 OUTLIER -140.45 100.07 3.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.645 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -94.62 173.16 7.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.623 HD13 ' CG ' ' A' ' 31' ' ' TRP . 79.0 mt -117.86 107.41 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.212 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.484 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -108.41 132.94 54.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.243 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.716 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -91.74 92.14 8.28 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.539 1.149 . . . . 0.0 111.019 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -74.43 99.95 3.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.23 97.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -110.05 62.6 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.382 1.051 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 118.86 -22.15 9.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.447 1.092 . . . . 0.0 111.047 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.979 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 2.5 p -91.27 179.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.64 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -76.04 133.95 40.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.62 -50.65 73.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.242 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.38 -37.08 46.31 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.683 ' O ' HD12 ' A' ' 56' ' ' LEU . 92.9 m -72.53 -39.83 67.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.363 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.716 ' HB1' ' O ' ' A' ' 43' ' ' PHE . . . -70.18 -18.33 63.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.414 1.072 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.78 -35.3 38.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -78.41 -18.96 54.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.947 HD21 ' O ' ' A' ' 72' ' ' THR . 1.1 mp -104.98 -3.73 22.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.59 151.79 22.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 110.044 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' ILE . 24.7 m-70 -140.63 99.93 3.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.599 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.484 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 2.3 mttt -97.29 43.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.483 ' C ' HD22 ' A' ' 61' ' ' LEU . . . -87.59 -171.13 46.89 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.441 1.088 . . . . 0.0 110.961 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.483 HD22 ' C ' ' A' ' 60' ' ' GLY . 3.5 mm? -120.3 114.67 22.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.669 ' HB3' ' H ' ' A' ' 39' ' ' HIS . . . -88.24 118.14 27.62 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -140.63 -47.46 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.19 114.57 24.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.08 93.93 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.36 -31.74 0.15 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.437 1.086 . . . . 0.0 110.986 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -75.09 127.3 32.9 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.446 0.733 . . . . 0.0 110.279 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.9 p -124.08 142.6 51.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.436 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 22.0 m-85 -96.25 170.74 9.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.39 124.72 13.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.444 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.859 ' CB ' HD23 ' A' ' 56' ' ' LEU . 1.3 m -113.82 133.24 55.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.973 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.947 ' O ' HD21 ' A' ' 56' ' ' LEU . 2.3 m -74.82 121.3 21.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.693 ' CE2' HG13 ' A' ' 95' ' ' VAL . 3.7 m-30 -104.03 64.68 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.688 HG23 HG22 ' A' ' 72' ' ' THR . 81.5 p -85.8 -68.92 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.442 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.17 118.85 23.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.217 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.4 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -75.05 101.19 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -162.6 -138.25 2.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.4 m -140.76 133.14 28.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 110.365 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.979 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 96.8 m-85 -124.79 104.53 8.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 111.03 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.43 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 5.3 m -77.86 101.02 6.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.556 ' CE1' HG23 ' A' ' 95' ' ' VAL . 29.3 p90 -111.22 138.77 47.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.65 ' HB3' HG13 ' A' ' 92' ' ' VAL . 0.7 OUTLIER -143.95 -179.79 6.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.412 1.07 . . . . 0.0 111.016 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.0 p -87.32 110.31 20.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 108.309 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.519 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 5.0 tt0 -43.58 -50.75 17.0 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.535 ' O ' ' CG ' ' A' ' 86' ' ' HIS . 18.1 Cg_endo -75.09 56.87 4.44 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.535 ' CG ' ' O ' ' A' ' 85' ' ' PRO . 1.2 m170 167.78 42.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.584 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -76.71 60.43 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 139.63 61.4 0.04 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -135.63 -47.01 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 0.762 . . . . 0.0 109.341 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 133.94 43.38 0.13 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.673 ' CB ' HD12 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -145.33 99.07 3.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 0.75 . . . . 0.0 110.979 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.65 HG13 ' HB3' ' A' ' 82' ' ' TYR . 31.6 t -146.21 161.01 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.23 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -125.8 169.76 17.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.2 109.83 7.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 0.771 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.693 HG13 ' CE2' ' A' ' 73' ' ' PHE . 8.9 t -86.0 148.81 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.711 HG12 HG23 ' A' ' 22' ' ' THR . 3.2 t -144.68 106.93 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.302 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.527 HG22 ' CD2' ' A' ' 73' ' ' PHE . 48.2 t -94.85 146.65 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.1 t0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.477 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 1.5 p30 -93.38 160.34 14.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 1.052 ' HB2' HG21 ' A' ' 23' ' ' ILE . . . -104.06 142.88 33.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.3 m -120.27 131.84 55.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.44 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.599 HG11 ' OH ' ' A' ' 81' ' ' TYR . 91.8 t -143.79 119.39 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.44 149.05 23.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.547 ' O ' ' HE2' ' A' ' 91' ' ' MET . 3.5 mtm -76.21 -49.87 16.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -110.67 -130.74 5.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.3 p -141.65 149.1 40.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.592 0.819 . . . . 0.0 110.028 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -74.88 64.83 1.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.31 -64.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 110.068 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.87 49.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.99 123.56 12.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 109.337 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -80.15 102.32 9.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.259 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.8 m -142.78 132.15 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -82.44 102.02 11.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 111.056 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.507 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -145.08 136.45 12.64 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 110.273 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.589 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -75.02 132.78 28.72 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.971 -2.512 . . . . 0.0 111.052 0.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.45 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 63.2 p -59.86 -36.12 76.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -119.81 127.61 52.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.589 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.4 m -139.21 145.51 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 m -135.64 115.99 13.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 110.474 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 1.052 HG21 ' HB2' ' A' ' 3' ' ' ALA . 4.2 pt -119.5 -179.81 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -75.99 174.74 9.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.504 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -94.4 126.66 39.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.21 -18.94 30.25 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.509 1.13 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.49 ' HB3' HD12 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -79.96 179.0 7.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.407 0.71 . . . . 0.0 110.247 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 71' ' ' SER . 1.2 pm0 -126.26 169.47 12.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.321 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.011 HG22 ' HB3' ' A' ' 3' ' ' ALA . 13.2 t -123.35 140.89 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -109.29 149.38 29.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.366 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.535 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 2.6 m-90 -123.85 151.67 43.18 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.2 t -141.59 125.36 16.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -81.89 166.17 20.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -145.42 -80.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -138.2 177.41 7.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.231 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.573 HD22 ' N ' ' A' ' 36' ' ' LEU . 1.2 mm? 66.14 54.85 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.535 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -90.62 162.57 33.37 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.007 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.571 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.5 Cg_endo -75.02 163.03 91.66 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.05 -0.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -140.22 108.37 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.103 . . . . 0.0 109.669 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.62 -179.47 3.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.466 1.104 . . . . 0.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 58' ' ' HIS . 1.3 mp -130.93 105.82 11.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.425 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -112.77 114.81 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 109.31 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.652 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -95.84 99.12 10.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.891 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -74.66 113.27 11.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.214 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.0 96.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -126.95 78.79 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.63 -24.85 11.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.48 1.113 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.891 HG11 ' CE2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -104.09 -179.59 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.522 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -74.91 171.1 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.44 -69.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.651 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 1.5 m-20 -44.99 -42.35 8.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.518 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 2.8 m -58.73 -48.91 79.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 110.38 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -72.85 -14.81 61.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -66.16 -46.32 77.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.96 -37.17 70.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.416 1.073 . . . . 0.0 109.308 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.459 HD22 ' CE2' ' A' ' 79' ' ' TYR . 6.1 mp -74.73 -22.69 58.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -74.38 145.8 43.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.034 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' ILE . 6.0 m-70 -131.6 99.96 4.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.547 1.154 . . . . 0.0 109.576 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -105.75 50.87 0.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 109.356 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 61' ' ' LEU . . . -133.97 78.61 0.35 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.941 HD13 ' CE1' ' A' ' 63' ' ' PHE . 1.1 pp -40.31 159.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 0.742 . . . . 0.0 109.253 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -123.83 131.9 53.67 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.125 . . . . 0.0 109.232 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.941 ' CE1' HD13 ' A' ' 61' ' ' LEU . 8.2 m-85 -126.38 32.11 5.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 110.961 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.78 134.97 27.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.26 73.36 3.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.22 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.45 44.02 0.02 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.509 1.131 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -121.2 132.39 54.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.4 m -138.03 122.12 17.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 0.0 109.977 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -93.48 167.1 11.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.1 m -132.61 154.7 49.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 110.397 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 22.4 p -145.13 131.49 19.63 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 1.146 . . . . 0.0 110.023 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.443 ' O ' HD11 ' A' ' 56' ' ' LEU . 6.3 m -84.79 106.69 16.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 110.359 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.671 ' CE2' HG21 ' A' ' 29' ' ' VAL . 4.2 m-30 -91.91 60.0 3.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -78.97 -64.72 1.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.381 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.91 119.08 55.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.429 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.4 Cg_endo -75.01 107.26 2.44 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.451 1.764 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.7 -152.96 6.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.6 m -132.2 95.8 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 110.411 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.891 ' CE2' HG11 ' A' ' 48' ' ' VAL . 96.8 m-85 -93.93 138.87 31.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.1 m -121.27 111.02 16.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.099 . . . . 0.0 110.383 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.599 ' OH ' HG11 ' A' ' 5' ' ' VAL . 38.3 p90 -109.78 139.91 44.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.891 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -141.14 -179.29 6.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.411 1.069 . . . . 0.0 111.072 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 87' ' ' ARG . 0.5 OUTLIER -85.88 125.91 33.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 108.262 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.541 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -62.47 -48.77 86.03 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -74.99 -18.66 18.56 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.501 1.79 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.422 ' CD2' ' C ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -127.74 45.21 2.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.627 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.9 OUTLIER -77.99 -29.76 49.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -117.83 47.03 1.07 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.411 1.069 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.68 -50.5 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 148.01 45.44 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.547 ' HE2' ' O ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -136.51 98.44 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 0.735 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.537 HG22 ' N ' ' A' ' 93' ' ' GLY . 3.0 p -146.66 167.99 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.537 ' N ' HG22 ' A' ' 92' ' ' VAL . . . -152.44 149.9 21.63 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.582 1.177 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.98 150.4 29.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.652 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 12.9 t -134.01 145.96 32.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.6 t -142.76 104.84 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.435 1.084 . . . . 0.0 109.336 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.612 HG22 ' CD2' ' A' ' 73' ' ' PHE . 63.8 t -84.88 144.46 9.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.379 1.049 . . . . 0.0 109.268 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.504 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -75.74 175.96 8.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.65 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . -78.06 144.11 36.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.4 m -136.08 123.81 22.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 110.384 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.689 HG22 ' HD2' ' A' ' 18' ' ' PRO . 63.9 t -107.88 133.67 52.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.15 115.22 27.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.91 99.59 6.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.17 102.81 2.6 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 m -43.5 148.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 110.032 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -74.39 60.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.05 -70.79 0.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.66 42.0 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.581 1.175 . . . . 0.0 111.005 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.17 121.45 10.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 0.777 . . . . 0.0 109.236 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.619 HD12 ' HG3' ' A' ' 91' ' ' MET . 1.5 pp -77.38 99.59 5.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.6 m -141.3 135.0 31.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.607 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 13.7 m-85 -78.0 108.43 11.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.495 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -136.84 134.88 19.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.824 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.01 133.34 30.98 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.018 -0.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.433 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 60.3 p -49.13 -36.12 18.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 m -129.68 114.07 15.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.384 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.824 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -111.75 129.45 67.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.4 m -125.38 103.03 7.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.122 . . . . 0.0 110.403 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.971 HD11 ' CD2' ' A' ' 73' ' ' PHE . 2.3 pt -107.87 -179.87 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -80.69 177.65 8.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.3 93.62 8.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.31 -10.65 3.82 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -75.22 178.65 5.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 0.744 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.95 172.1 8.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.6 HG12 ' CZ3' ' A' ' 31' ' ' TRP . 30.6 t -141.72 121.75 11.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -107.68 144.44 34.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.721 ' CD1' HD13 ' A' ' 41' ' ' ILE . 10.6 m-90 -111.7 148.71 32.86 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.4 t -135.76 124.04 37.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -78.17 143.79 36.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -126.3 -86.68 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.405 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -141.78 -179.34 6.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.591 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 3.0 mm? 67.86 44.85 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.172 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.599 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -85.29 164.8 39.38 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.599 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.98 160.92 95.84 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.99 -0.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 3.8 m-70 -136.84 100.03 4.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.567 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 60' ' ' GLY . 3.4 m-20 -95.3 170.07 9.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.408 1.068 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.721 HD13 ' CD1' ' A' ' 31' ' ' TRP . 13.2 mt -138.67 99.82 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.574 1.171 . . . . 0.0 109.227 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -114.18 117.31 55.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.588 1.18 . . . . 0.0 109.344 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.59 ' CD1' ' HB3' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -89.72 102.83 15.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.879 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -80.88 120.21 24.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.95 95.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' ALA . 4.4 t70 -122.68 72.83 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.6 -29.26 7.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.113 . . . . 0.0 111.064 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.666 HG11 ' CE1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -99.83 -179.72 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.537 0.786 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.517 ' O ' HG13 ' A' ' 48' ' ' VAL . 6.6 m-20 -75.0 167.59 21.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -75.79 -67.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 82.8 m-20 -45.45 -43.74 11.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.592 HG22 ' HE1' ' A' ' 79' ' ' TYR . 4.2 m -58.27 -38.71 77.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -86.08 -14.52 44.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -69.4 -36.71 77.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.7 -40.22 20.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.742 HD11 ' O ' ' A' ' 72' ' ' THR . 1.5 mp -68.74 -26.72 65.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 18.0 m -75.54 155.85 35.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 72.0 m-70 -131.92 100.7 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.645 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -98.84 44.75 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.415 ' O ' ' ND2' ' A' ' 40' ' ' ASN . . . -100.23 -148.71 22.83 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.64 159.27 37.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 0.796 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.601 ' O ' ' CD1' ' A' ' 63' ' ' PHE . . . -135.78 151.77 50.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.396 1.06 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 62' ' ' ALA . 0.3 OUTLIER 162.05 -50.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 111.048 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.62 105.5 6.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.628 1.205 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.67 135.27 56.71 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 109.244 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 120.53 -21.56 8.55 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.576 1.172 . . . . 0.0 111.058 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -77.93 131.92 37.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 0.807 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 12.5 p -136.24 134.14 37.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.122 . . . . 0.0 109.987 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.564 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 17.4 m-85 -95.36 172.64 7.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.1 m -133.21 152.71 51.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.436 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.51 ' OG ' HD23 ' A' ' 56' ' ' LEU . 25.7 t -139.88 141.87 36.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.943 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.996 HG22 HG23 ' A' ' 74' ' ' THR . 85.1 m -95.28 132.72 39.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 1.088 ' CD2' HG22 ' A' ' 97' ' ' VAL . 5.1 m-85 -123.51 35.16 4.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.996 HG23 HG22 ' A' ' 72' ' ' THR . 70.9 p -60.71 -71.08 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.417 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 38.4 tt0 -72.17 137.78 81.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.431 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.99 114.8 4.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.453 1.765 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.59 ' HA3' HG23 ' A' ' 48' ' ' VAL . . . -150.98 -165.82 13.17 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.477 1.111 . . . . 0.0 110.913 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.2 m -128.72 102.49 6.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.599 0.823 . . . . 0.0 110.38 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.666 ' CE1' HG11 ' A' ' 48' ' ' VAL . 82.3 m-85 -101.89 132.49 47.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.062 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.8 m -122.31 107.86 12.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.403 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.59 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 34.1 p90 -107.91 143.55 36.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.879 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -143.69 174.95 10.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.422 ' O ' ' N ' ' A' ' 87' ' ' ARG . 0.5 OUTLIER -78.67 121.66 24.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 108.258 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.485 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -47.66 -52.09 40.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -74.95 -49.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.462 1.769 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.529 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . 0.1 OUTLIER -92.94 47.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.598 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 83' ' ' CYS . 2.7 ttt180 -59.77 -45.28 92.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -116.26 55.27 0.55 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.529 ' HB3' ' HB3' ' A' ' 86' ' ' HIS . . . -130.59 58.81 1.67 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.468 0.746 . . . . 0.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 41.93 34.16 1.31 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.431 1.082 . . . . 0.0 110.962 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.619 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -133.02 99.42 4.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 111.033 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.4 t -146.07 158.67 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -137.85 119.77 1.9 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.597 1.186 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.45 130.88 44.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.732 HG22 HG22 ' A' ' 21' ' ' VAL . 1.0 OUTLIER -117.01 145.4 22.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.7 t -143.73 119.14 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 1.088 HG22 ' CD2' ' A' ' 73' ' ' PHE . 45.9 t -95.47 143.28 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -84.81 150.81 24.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.228 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.931 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . -75.02 146.79 41.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.246 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.7 m -126.67 121.98 33.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.0 110.38 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.645 HG22 ' HD2' ' A' ' 18' ' ' PRO . 87.6 t -128.2 144.26 38.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.9 132.74 55.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.585 1.178 . . . . 0.0 109.246 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.5 mtm -84.17 50.82 1.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 111.049 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.24 146.04 4.59 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.6 p -76.58 146.16 38.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 0.734 . . . . 0.0 110.023 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -74.49 62.35 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.7 t -157.56 -69.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.8 41.33 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.85 116.0 10.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 109.331 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.444 HD12 ' HG3' ' A' ' 91' ' ' MET . 0.9 OUTLIER -74.67 99.88 3.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.1 m -142.05 131.23 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.451 ' CD2' ' HE2' ' A' ' 91' ' ' MET . 6.4 m-85 -80.89 105.31 12.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.516 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 19.4 tt0 -140.49 134.49 15.29 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.713 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.03 132.9 29.11 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.97 -2.512 . . . . 0.0 110.965 0.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.429 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 9.3 p -57.45 -35.42 70.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.172 . . . . 0.0 109.998 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.0 m -124.38 123.78 40.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.713 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.3 m -127.64 140.79 48.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.8 m -128.84 111.07 12.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.464 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.931 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 1.3 pp -119.18 -179.37 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.731 ' O ' HD12 ' A' ' 23' ' ' ILE . 3.2 mtmm -74.81 177.04 6.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.41 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . . . -97.7 89.04 4.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.242 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.34 -15.24 2.08 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.745 ' HB3' HD13 ' A' ' 23' ' ' ILE . 2.8 tp10 -74.89 172.8 11.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 110.343 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -115.89 165.72 12.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.236 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.804 HG22 ' HB3' ' A' ' 3' ' ' ALA . 77.9 t -135.89 135.14 50.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -113.36 145.64 40.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.566 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 16.5 m-90 -121.19 117.48 27.21 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.81 143.33 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.11 155.82 36.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -149.57 -175.3 4.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.224 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -74.71 -177.98 3.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 35' ' ' LYS . 4.3 mm? 68.61 40.07 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.649 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -75.04 167.52 36.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.649 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.0 164.0 89.41 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.97 -0.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -133.96 100.5 4.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.649 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.439 HD21 HD22 ' A' ' 61' ' ' LEU . 5.5 m-20 -100.98 178.11 4.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.369 1.043 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 29.8 mt -139.52 99.91 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -117.26 112.42 38.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -87.51 105.86 17.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.899 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -81.26 104.89 12.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.31 97.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' ALA . 4.6 t0 -125.13 79.51 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.359 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.09 -31.6 6.64 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.721 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -96.33 -179.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 0.782 . . . . 0.0 109.323 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.53 ' H ' HG22 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -74.58 172.39 12.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -84.71 -67.61 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.66 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 30.3 m-20 -45.56 -41.23 9.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.513 HG22 ' HE2' ' A' ' 79' ' ' TYR . 1.6 m -62.16 -51.89 66.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.438 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -71.47 -12.68 61.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.175 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -63.99 -68.15 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.576 1.172 . . . . 0.0 109.389 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -54.49 -38.59 66.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.713 HD11 ' O ' ' A' ' 72' ' ' THR . 0.6 OUTLIER -66.97 -34.2 77.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.162 . . . . 0.0 109.275 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.5 p -80.44 126.23 30.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.563 ' ND1' ' CD1' ' A' ' 69' ' ' PHE . 36.5 m-70 -94.33 179.61 5.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.592 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.87 -44.72 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.363 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -40.72 105.5 0.05 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.413 1.071 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 4.4 mm? -46.7 154.52 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.768 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.73 115.99 10.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 61' ' ' LEU . 10.1 m-85 -127.38 41.21 3.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -133.22 143.03 48.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.78 65.66 5.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 109.344 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 162.71 41.77 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -136.35 105.21 5.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 110.296 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 95.0 p -103.43 156.92 17.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.003 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.563 ' CD1' ' ND1' ' A' ' 58' ' ' HIS . 16.7 m-85 -107.49 177.93 4.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.7 m -141.15 148.08 39.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.162 . . . . 0.0 110.433 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.463 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 6.0 t -144.33 136.71 26.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.942 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.713 ' O ' HD11 ' A' ' 56' ' ' LEU . 59.6 m -91.21 125.0 35.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.452 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.688 ' CB ' HD11 ' A' ' 23' ' ' ILE . 3.6 m-30 -105.89 47.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 111.071 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.46 -50.03 29.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.68 122.27 85.5 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.441 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.99 114.7 4.09 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.499 1.789 . . . . 0.0 110.943 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -162.62 -144.69 4.09 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 110.947 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.441 ' CG2' ' HE2' ' A' ' 94' ' ' LYS . 6.2 m -145.61 93.8 2.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 0.742 . . . . 0.0 110.378 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.721 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 77.0 m-85 -89.61 133.23 34.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 m -115.56 112.64 22.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.412 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.607 ' OH ' HG11 ' A' ' 5' ' ' VAL . 34.5 p90 -112.83 140.55 47.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.899 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -141.17 -179.77 6.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 84' ' ' GLU . 1.5 t -86.26 120.14 27.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 108.313 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.462 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.4 OUTLIER -38.92 -53.74 3.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.265 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.0 Cg_endo -75.07 -46.69 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.423 1.749 . . . . 0.0 110.927 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.53 59.04 1.78 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.625 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.459 ' HG3' ' CG ' ' A' ' 82' ' ' TYR . 20.6 ttp180 -85.46 -62.05 1.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.587 1.18 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.62 55.17 0.83 Allowed Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.588 1.18 . . . . 0.0 110.934 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -125.57 -45.1 1.8 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 0.781 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 163.42 -28.78 0.24 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.528 1.142 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.451 ' HE2' ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -76.94 99.35 5.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 0.732 . . . . 0.0 111.024 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.521 HG12 ' N ' ' A' ' 93' ' ' GLY . 30.2 t -145.86 169.09 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.521 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -142.76 165.46 26.85 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.441 ' HE2' ' CG2' ' A' ' 78' ' ' THR . 0.0 OUTLIER -144.4 112.03 6.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.304 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.669 HG21 ' HZ ' ' A' ' 73' ' ' PHE . 1.6 t -91.14 154.95 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 38.1 t -144.9 108.64 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.658 HG22 ' CD2' ' A' ' 73' ' ' PHE . 41.9 t -97.19 137.87 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.26 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -79.55 127.75 32.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.413 1.07 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.921 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . -76.52 155.12 33.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.1 m -143.87 115.95 8.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.425 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.59 HG11 ' OH ' ' A' ' 81' ' ' TYR . 54.5 t -108.52 150.81 10.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.48 130.79 56.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.49 ' O ' ' CE ' ' A' ' 91' ' ' MET . 8.9 mtm -57.89 -52.72 64.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.15 148.17 18.57 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.106 . . . . 0.0 111.046 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.3 p -71.92 152.4 42.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.38 62.38 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.43 -58.45 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.02 45.0 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.428 1.08 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.97 125.31 13.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 0.745 . . . . 0.0 109.265 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.744 HD23 ' HG ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -76.47 101.12 5.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.1 m -144.27 132.25 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.594 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 34.4 m-85 -81.62 101.79 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.052 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.492 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -135.55 132.08 19.6 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.588 1.18 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.776 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.6 Cg_endo -75.0 131.57 24.66 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.025 -0.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.438 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 11.1 p -52.73 -36.56 57.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.964 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.1 m -126.36 121.84 33.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.416 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.776 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -123.89 140.04 48.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.5 m -122.63 109.84 14.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.386 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.921 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 1.4 pt -118.15 -179.58 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -78.31 178.04 7.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.915 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -99.28 120.9 40.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.96 -19.7 15.24 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.539 1.15 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.21 179.63 5.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.264 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.46 172.2 10.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.684 HG22 ' HB3' ' A' ' 3' ' ' ALA . 2.9 t -134.25 147.91 30.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -121.68 138.85 54.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.569 ' CZ3' ' HB2' ' A' ' 71' ' ' SER . 3.5 m-90 -108.7 151.8 25.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 108.023 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.414 ' C ' ' HE1' ' A' ' 7' ' ' MET . 74.6 t -135.31 139.33 47.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.414 ' N ' ' HE1' ' A' ' 7' ' ' MET . 39.9 t30 -96.62 140.06 31.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.231 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -123.77 -70.72 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -143.6 179.88 6.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.351 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.744 ' HG ' HD23 ' A' ' 14' ' ' LEU . 3.9 mm? 64.34 55.55 1.41 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.504 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -98.19 161.34 25.76 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.504 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.09 163.29 91.01 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.973 0.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.457 ' CD2' ' HB3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -134.96 112.88 10.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.634 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.63 158.46 18.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 58' ' ' HIS . 1.8 mp -122.62 111.68 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -114.23 122.13 67.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.593 ' CE2' ' CG ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -82.51 93.13 7.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 80' ' ' THR . . . -75.29 107.01 7.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.252 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.39 98.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -118.51 60.91 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.94 -13.45 8.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.418 1.074 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.05 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -103.47 -179.71 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.267 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.525 ' H ' HG22 ' A' ' 48' ' ' VAL . 2.5 m-20 -76.16 165.34 25.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 51' ' ' ASP . . . -77.47 -69.35 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.875 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 10.1 m-20 -40.09 -48.13 2.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.574 HG21 ' OH ' ' A' ' 79' ' ' TYR . 98.8 m -49.0 -69.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.356 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.576 ' HB1' ' HB3' ' A' ' 43' ' ' PHE . . . -52.06 -21.47 3.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.875 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -66.34 -29.92 70.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.18 -28.91 20.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.002 HD21 ' O ' ' A' ' 72' ' ' THR . 2.6 mp -92.88 0.79 57.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.5 m -89.38 143.4 26.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.075 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 41' ' ' ILE . 41.8 m-70 -132.65 99.06 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 109.612 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -97.05 29.81 2.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.69 ' C ' HD12 ' A' ' 61' ' ' LEU . . . -86.66 -148.72 12.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.69 HD12 ' C ' ' A' ' 60' ' ' GLY . 5.7 mp -152.57 154.01 34.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 0.734 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -137.25 131.78 32.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.478 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 2.8 m-85 -129.17 -42.18 1.38 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.399 1.062 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.68 153.59 19.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.04 42.65 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.349 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -130.15 -40.44 0.26 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.458 1.098 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -74.36 126.63 31.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.751 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 3.6 m -134.1 142.19 47.43 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.14 . . . . 0.0 110.036 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -96.46 173.58 7.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 3.3 m -140.17 153.98 46.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.349 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.97 ' OG ' HD23 ' A' ' 56' ' ' LEU . 5.3 t -133.36 154.08 51.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.013 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 1.002 ' O ' HD21 ' A' ' 56' ' ' LEU . 53.2 m -106.33 102.61 12.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.406 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.604 ' CB ' HD11 ' A' ' 23' ' ' ILE . 4.7 m-30 -94.27 69.04 3.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.966 HG23 HG22 ' A' ' 72' ' ' THR . 40.7 p -88.44 -67.87 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.4 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.33 123.13 77.3 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 101.2 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.456 1.766 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.8 -138.53 2.62 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.2 m -143.27 129.89 20.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 110.401 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 1.05 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 96.7 m-85 -126.12 98.05 5.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.584 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 87.3 m -77.82 100.94 6.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.434 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.59 ' OH ' HG11 ' A' ' 5' ' ' VAL . 25.7 p90 -109.03 129.23 55.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.536 ' CZ ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -128.94 -179.87 5.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 1.021 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 1.7 m -77.46 126.13 30.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 108.312 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.502 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -52.75 -51.93 69.25 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -74.98 -50.91 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.579 1.831 . . . . 0.0 111.01 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -85.84 48.82 1.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.636 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.92 5.05 38.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 110.258 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -153.62 51.49 0.48 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.568 1.168 . . . . 0.0 111.006 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.18 -47.03 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.753 . . . . 0.0 109.231 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 146.4 45.11 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.123 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 1.021 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER -138.02 99.02 3.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.784 . . . . 0.0 110.989 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.512 HG22 ' N ' ' A' ' 93' ' ' GLY . 2.4 p -146.07 166.17 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.512 ' N ' HG22 ' A' ' 92' ' ' VAL . . . -139.8 154.05 23.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.14 104.93 8.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 0.776 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.53 ' CG1' ' CE2' ' A' ' 73' ' ' PHE . 55.4 t -85.0 145.11 8.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.3 t -139.35 101.57 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.425 1.078 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.421 HG22 ' CD2' ' A' ' 73' ' ' PHE . 91.8 t -93.87 141.47 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.247 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.915 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 30.2 m-20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -144.52 179.57 7.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 1.047 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -77.31 144.3 38.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 90.6 m -112.21 133.74 54.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 110.409 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.409 HG22 ' HD2' ' A' ' 18' ' ' PRO . 10.2 t -144.68 99.65 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.224 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -83.33 146.65 28.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -72.64 -165.48 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 111.042 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.457 ' HA3' ' CD1' ' A' ' 36' ' ' LEU . . . -34.72 131.61 0.53 Allowed Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.1 p -47.93 144.07 3.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.421 0.718 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -76.95 57.27 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.45 -71.62 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.003 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.29 38.34 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.562 1.164 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.99 114.77 7.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 0.748 . . . . 0.0 109.347 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.633 ' CD2' HD22 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -83.59 99.17 10.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.2 m -145.35 141.97 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.363 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.565 ' CE2' ' HG2' ' A' ' 91' ' ' MET . 72.1 m-85 -88.77 126.94 35.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 111.059 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.49 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 26.3 tt0 -141.06 131.27 13.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.885 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.6 Cg_endo -74.86 132.99 29.35 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.067 -0.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.425 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 39.3 t -42.51 -35.91 1.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.946 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.2 m -136.73 128.34 28.72 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.885 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -124.92 143.57 38.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.7 m -122.49 108.03 12.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.416 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.951 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.3 pt -116.99 -179.72 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.58 ' O ' HG13 ' A' ' 97' ' ' VAL . 3.7 mtmt -77.42 177.36 8.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.439 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . . . -100.65 98.57 9.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.65 -22.58 2.68 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.6 179.73 5.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 0.801 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.12 176.24 6.51 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.047 HG22 ' HB3' ' A' ' 3' ' ' ALA . 3.1 t -130.54 157.25 42.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.49 141.73 51.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.493 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 9.3 m-90 -111.96 159.36 18.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 107.973 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.9 t -139.22 111.98 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.578 1.174 . . . . 0.0 109.259 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -77.65 140.22 39.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -126.95 -87.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.3 mmtm -135.56 -179.18 5.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 109.35 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.633 HD22 ' CD2' ' A' ' 14' ' ' LEU . 0.6 OUTLIER 75.29 69.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.558 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -121.61 163.25 31.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.974 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.558 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.99 139.88 64.24 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.962 -2.516 . . . . 0.0 111.019 -0.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.563 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 1.6 m-70 -140.12 102.96 4.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.635 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.3 -179.96 4.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.883 HG21 ' NE2' ' A' ' 58' ' ' HIS . 5.0 mt -121.04 115.4 46.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -124.36 125.4 70.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.613 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 0.2 OUTLIER -96.54 101.51 13.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.951 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.954 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -78.9 107.36 11.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.86 96.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.4 m-20 -120.55 75.58 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.36 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.43 -27.09 9.67 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.9 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 1.0 OUTLIER -100.01 175.67 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 109.347 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.486 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -76.42 147.52 37.91 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.465 1.103 . . . . 0.0 109.229 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -64.0 -51.76 62.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.354 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.741 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -45.29 -55.21 6.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.569 HG21 ' OH ' ' A' ' 79' ' ' TYR . 17.8 m -58.99 -53.97 52.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.435 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.39 -21.05 33.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -67.49 -70.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -58.02 -29.99 65.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.37 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.73 HD13 ' OG ' ' A' ' 71' ' ' SER . 0.7 OUTLIER -68.59 -31.65 70.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.355 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.4 p -74.54 147.84 41.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.06 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.883 ' NE2' HG21 ' A' ' 41' ' ' ILE . 5.6 p80 -145.15 99.89 3.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.642 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 60' ' ' GLY . 11.0 mttt -70.06 -82.29 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.367 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.425 ' HA3' ' CZ ' ' A' ' 69' ' ' PHE . . . 47.94 98.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.522 HD12 ' CZ ' ' A' ' 63' ' ' PHE . 4.2 mm? -47.18 142.54 3.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 0.806 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -109.26 106.67 16.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.522 ' CZ ' HD12 ' A' ' 61' ' ' LEU . 21.7 m-85 -131.52 -44.94 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 111.055 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.79 146.87 24.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.075 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.44 128.3 34.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.19 15.21 10.0 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.58 103.72 15.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 0.791 . . . . 0.0 110.251 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 67.2 m -106.22 135.26 48.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.425 ' CZ ' ' HA3' ' A' ' 60' ' ' GLY . 17.9 m-85 -109.44 175.89 5.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 110.97 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 2.5 m -144.88 157.57 44.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.73 ' OG ' HD13 ' A' ' 56' ' ' LEU . 34.4 t -144.99 155.0 43.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.975 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.705 ' O ' HD11 ' A' ' 56' ' ' LEU . 2.5 m -105.91 109.95 22.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.914 ' CE2' HG21 ' A' ' 29' ' ' VAL . 6.8 m-30 -95.95 46.55 1.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.4 m -68.48 -64.67 0.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -61.2 123.21 74.83 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 125.45 9.32 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.527 1.804 . . . . 0.0 111.072 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 179.14 -142.73 5.44 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.2 m -144.02 108.64 4.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 0.797 . . . . 0.0 110.378 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.9 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 85.8 m-85 -105.61 135.2 47.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.1 m -110.66 115.58 29.84 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.565 1.166 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.609 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 33.9 p90 -114.94 137.49 51.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.954 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -145.51 -179.75 6.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.441 ' CB ' ' ND1' ' A' ' 39' ' ' HIS . 1.0 OUTLIER -95.69 116.38 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 108.366 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.477 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -37.08 -56.46 1.48 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.563 ' O ' ' CG ' ' A' ' 86' ' ' HIS . 18.1 Cg_endo -75.04 52.68 3.14 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.605 1.845 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.563 ' CG ' ' O ' ' A' ' 85' ' ' PRO . 1.4 m80 165.63 42.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 0.0 109.585 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.478 ' O ' ' CG ' ' A' ' 87' ' ' ARG . 19.0 ptt180 -90.69 121.1 32.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.43 28.44 55.52 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -106.3 -36.55 6.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.392 0.701 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 151.04 -36.61 0.88 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.565 ' HG2' ' CE2' ' A' ' 16' ' ' PHE . 0.8 OUTLIER -77.6 98.66 5.48 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.524 0.779 . . . . 0.0 110.991 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.547 HG12 ' N ' ' A' ' 93' ' ' GLY . 52.6 t -146.79 169.52 4.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.547 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -127.32 167.51 19.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.1 117.06 9.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 0.722 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.613 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 37.9 t -96.72 146.38 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.2 t -141.2 104.18 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.739 HG11 ' O ' ' A' ' 73' ' ' PHE . 15.8 t -107.63 140.59 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.1 t0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -143.56 175.48 9.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 1.016 ' HB2' HG21 ' A' ' 23' ' ' ILE . . . -78.82 125.71 29.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.468 1.105 . . . . 0.0 109.359 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.5 m -90.93 141.15 29.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.394 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.3 t -145.35 128.7 11.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.599 1.187 . . . . 0.0 109.225 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.93 143.17 49.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.413 1.07 . . . . 0.0 109.239 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.7 mtm -94.58 -90.5 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.441 ' O ' ' ND2' ' A' ' 34' ' ' ASN . . . -59.15 98.19 0.1 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 m -47.64 160.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 0.784 . . . . 0.0 109.994 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.95 66.38 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.11 -61.22 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.2 44.58 0.04 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.55 1.156 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.15 130.22 18.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.388 0.699 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.845 ' HB3' HD22 ' A' ' 36' ' ' LEU . 1.9 pt? -75.23 111.28 10.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.3 m -143.52 -179.95 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 43.6 m-85 -128.29 111.53 13.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.601 1.188 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.475 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.9 tt0 -145.01 130.14 9.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.773 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.5 Cg_endo -74.97 132.2 26.77 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.955 -2.519 . . . . 0.0 111.067 -0.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.421 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 95.5 p -57.34 -27.33 62.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 110.004 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -134.38 120.54 19.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.773 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -121.12 142.01 39.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.522 1.138 . . . . 0.0 109.336 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.463 HG23 HG12 ' A' ' 96' ' ' VAL . 91.3 m -132.88 100.21 4.84 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.498 1.124 . . . . 0.0 110.467 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 1.016 HG21 ' HB2' ' A' ' 3' ' ' ALA . 5.0 pt -112.82 -179.76 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -75.32 174.24 9.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.747 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -91.28 126.33 36.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.569 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 111.9 -22.87 18.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.819 ' HB3' HD12 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -74.9 -179.92 4.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 0.763 . . . . 0.0 110.266 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.404 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 7.3 pm0 -128.11 178.87 5.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.27 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.015 HG22 ' HB3' ' A' ' 3' ' ' ALA . 3.5 t -138.89 138.64 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.399 1.062 . . . . 0.0 109.366 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.92 131.94 56.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.463 ' O ' ' CB ' ' A' ' 68' ' ' SER . 12.1 m-90 -93.79 163.32 13.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 108.007 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.8 t -142.08 101.1 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 109.285 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -80.13 150.58 30.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.138 . . . . 0.0 109.355 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 8' ' ' GLY . 15.8 m-20 -124.87 -80.83 0.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.581 1.176 . . . . 0.0 109.282 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -129.69 -179.51 5.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.845 HD22 ' HB3' ' A' ' 14' ' ' LEU . 2.7 mp 71.01 50.96 0.3 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.558 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -95.46 163.39 21.64 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.17 . . . . 0.0 109.983 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 63' ' ' PHE . 18.2 Cg_endo -75.03 157.04 99.83 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.928 -2.53 . . . . 0.0 111.03 0.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.607 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 1.4 m-70 -124.2 110.54 14.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.597 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.483 ' OD1' HD13 ' A' ' 61' ' ' LEU . 6.1 m-20 -100.55 171.43 7.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 98.0 mt -143.55 99.06 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -108.82 122.71 63.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.684 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -94.75 102.88 14.78 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 111.043 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.845 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -78.54 130.69 36.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.361 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.84 100.49 0.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 109.336 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -132.77 55.57 1.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 134.54 -11.81 4.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.808 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -121.46 -179.74 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 0.0 109.252 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.544 ' H ' HG22 ' A' ' 48' ' ' VAL . 5.3 m-20 -75.79 168.57 19.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' ALA . . . -81.3 -64.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -45.43 -43.59 11.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.508 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -66.17 -34.62 78.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -79.52 -19.8 48.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -72.84 -45.28 59.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -43.0 87.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.91 HD11 ' O ' ' A' ' 72' ' ' THR . 4.4 mp -73.23 -24.92 60.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 3.6 m -75.87 151.55 37.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.064 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.496 ' CE1' ' O ' ' A' ' 70' ' ' THR . 55.8 m-70 -126.86 99.83 5.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.587 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -97.63 40.46 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -119.82 152.3 17.13 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 111.031 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.483 HD13 ' OD1' ' A' ' 40' ' ' ASN . 3.8 mm? -88.52 158.05 18.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 0.713 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.84 107.92 6.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.563 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 6.2 m-85 -119.14 46.19 1.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.12 122.66 15.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.588 1.18 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.2 113.77 3.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.4 26.43 5.67 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.566 1.166 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -76.4 141.85 41.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 0.755 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 4.1 p -145.11 122.6 11.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.944 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -96.69 176.11 6.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.068 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.496 ' O ' ' CE1' ' A' ' 58' ' ' HIS . 1.5 m -134.49 142.75 47.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.382 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.3 t -134.43 135.77 42.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.91 ' O ' HD11 ' A' ' 56' ' ' LEU . 5.5 m -85.65 115.13 23.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.412 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.558 ' CZ ' HG11 ' A' ' 95' ' ' VAL . 4.2 m-30 -102.22 61.96 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.954 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.569 HG22 ' HA2' ' A' ' 26' ' ' GLY . 2.2 p -87.17 -70.07 0.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.48 120.81 43.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.177 . . . . 0.0 110.326 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 100.02 1.32 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.541 1.811 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.77 -147.2 4.49 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.586 1.179 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.7 m -139.99 105.04 4.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 110.459 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.808 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 94.8 m-85 -98.63 145.0 27.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.9 p -125.53 111.35 14.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.432 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.573 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 34.7 p90 -112.01 139.44 47.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.845 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -138.58 179.49 6.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.9 130.23 34.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 108.321 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.516 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -56.97 -50.72 86.56 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 110.388 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -75.0 -52.32 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.49 1.784 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.79 44.75 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.609 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -64.38 -58.29 6.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -104.2 63.66 0.36 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -131.94 -46.34 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.283 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.38 45.68 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.575 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -143.08 98.99 3.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 0.805 . . . . 0.0 110.995 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.642 HG13 ' HB3' ' A' ' 82' ' ' TYR . 2.8 t -146.08 150.84 14.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -128.03 157.33 21.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.43 157.98 26.18 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.51 0.771 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.684 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 75.3 t -140.72 147.04 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.463 HG12 HG23 ' A' ' 22' ' ' THR . 3.9 t -145.21 103.8 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.495 HG22 ' CD2' ' A' ' 73' ' ' PHE . 62.8 t -95.28 140.16 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.747 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -144.35 179.37 7.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.405 1.066 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.962 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -77.71 119.46 21.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.1 m -76.09 129.34 36.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.16 . . . . 0.0 110.417 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.427 ' CG2' HG11 ' A' ' 21' ' ' VAL . 61.5 t -144.67 100.0 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.25 115.42 18.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.601 ' CE ' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -64.91 -28.65 69.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.163 . . . . 0.0 110.982 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.418 ' N ' ' HG2' ' A' ' 7' ' ' MET . . . -131.5 133.62 7.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.7 t -44.01 167.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 0.74 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.54 68.35 1.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.5 t 67.15 99.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.005 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.87 -67.53 0.16 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.09 167.33 22.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 0.774 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.473 HD13 ' CE1' ' A' ' 86' ' ' HIS . 0.5 OUTLIER -97.93 101.31 12.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.1 m -144.48 140.35 24.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.08 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.596 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 59.2 m-85 -79.79 118.84 21.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 17.0 tt0 -145.2 129.13 8.69 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 110.282 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.776 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.05 132.4 27.45 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.006 -2.497 . . . . 0.0 110.984 0.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.417 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 92.7 p -53.87 -33.26 55.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.085 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 m -126.35 117.51 23.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 110.362 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.776 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -121.64 140.79 44.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 m -133.34 100.75 4.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.376 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.902 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.5 pt -108.48 -178.75 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.05 176.58 6.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.74 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -96.7 118.45 33.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.649 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 120.19 -26.8 6.93 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -75.92 178.77 5.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 0.723 . . . . 0.0 110.293 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.44 172.85 9.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.962 HG22 ' HB3' ' A' ' 3' ' ' ALA . 2.5 t -129.87 143.83 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.92 158.35 17.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.498 ' O ' ' CB ' ' A' ' 68' ' ' SER . 7.5 m-90 -127.76 105.92 8.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.013 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 82.9 t -81.06 111.76 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -79.0 110.47 14.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -95.91 -84.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.783 ' C ' HD22 ' A' ' 36' ' ' LEU . 14.9 mmtt -135.44 178.51 6.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.783 HD22 ' C ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER 75.02 29.95 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.53 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -85.27 162.7 47.97 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.582 1.176 . . . . 0.0 110.017 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.581 ' HG3' ' CZ ' ' A' ' 63' ' ' PHE . 18.1 Cg_endo -75.04 156.97 99.85 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.941 -2.525 . . . . 0.0 111.003 -0.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 2.2 m-70 -129.23 112.82 14.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.602 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -98.46 161.83 13.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.757 HD13 ' CE1' ' A' ' 58' ' ' HIS . 3.6 mp -126.22 101.37 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.492 HG13 ' HG3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -106.24 108.53 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.701 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -86.3 102.1 13.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.83 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -79.96 103.66 10.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.411 1.07 . . . . 0.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.485 ' HB2' ' HA ' ' A' ' 50' ' ' ALA . . . -39.94 97.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -123.89 75.81 1.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.83 -32.04 6.02 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.963 HG11 ' CD2' ' A' ' 79' ' ' TYR . 2.2 p -96.09 -179.83 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.639 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -75.96 143.97 41.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.238 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.485 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . . . -63.03 -55.68 23.53 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.812 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -44.45 -48.77 9.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.713 HG21 ' OH ' ' A' ' 79' ' ' TYR . 24.1 m -57.82 -59.06 5.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.74 -15.89 34.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.402 1.064 . . . . 0.0 109.347 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.812 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -64.26 -59.54 4.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -37.45 66.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.672 HD13 HG22 ' A' ' 52' ' ' THR . 0.1 OUTLIER -57.03 -24.68 55.55 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.13 . . . . 0.0 109.25 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 80.4 p -87.5 131.89 34.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.757 ' CE1' HD13 ' A' ' 41' ' ' ILE . 3.2 p80 -130.71 101.69 5.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 109.622 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.492 ' HG3' HG13 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -70.96 -74.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 45.97 -154.7 0.65 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.461 ' HG ' ' CB ' ' A' ' 38' ' ' PRO . 3.4 tp -179.0 93.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.562 0.801 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.51 142.86 27.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.581 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 10.7 m-85 -131.1 21.98 4.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -135.72 139.08 43.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.26 77.11 10.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.238 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -171.2 -39.19 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 111.037 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -74.64 144.53 43.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 0.723 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 12.8 p -138.84 133.24 31.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.967 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.517 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 12.1 m-85 -76.13 174.42 10.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 12.1 m -145.35 155.43 43.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.0 t -144.93 146.48 32.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.939 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.644 ' O ' HD11 ' A' ' 56' ' ' LEU . 87.0 m -88.14 112.66 22.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 0.0 110.369 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.685 ' CD2' HD11 ' A' ' 23' ' ' ILE . 4.6 m-30 -103.0 46.81 0.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 111.056 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.649 HG22 ' HA2' ' A' ' 26' ' ' GLY . 2.0 p -75.5 -70.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.12 119.8 12.91 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 100.64 1.38 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.415 1.745 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.71 -142.31 3.42 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.111 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 78' ' ' THR . 15.0 t -145.18 110.95 5.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 110.416 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.963 ' CD2' HG11 ' A' ' 48' ' ' VAL . 87.0 m-85 -107.46 138.56 43.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.6 m -115.11 115.41 26.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.414 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.585 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 28.0 p90 -118.39 133.28 56.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.83 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -140.3 -179.46 6.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.963 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.608 ' SG ' 'CU ' ' A' ' 132' ' ' ' CU' . 0.1 OUTLIER -79.45 138.93 37.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 108.341 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.523 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -65.05 -50.45 61.64 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -74.97 -49.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.473 ' CE1' HD13 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -87.83 45.04 1.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.595 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.69 -1.31 55.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -145.11 50.84 0.63 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -135.95 -46.9 0.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 146.22 47.82 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.466 1.104 . . . . 0.0 111.026 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.596 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -138.28 99.62 3.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 0.793 . . . . 0.0 111.081 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.543 HG12 ' N ' ' A' ' 93' ' ' GLY . 42.4 t -145.71 169.36 6.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.543 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -146.84 138.21 7.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -110.67 134.14 52.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.375 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.701 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 70.5 t -114.12 147.23 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.289 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.3 t -144.92 100.09 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.595 1.184 . . . . 0.0 109.247 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.671 HG11 ' O ' ' A' ' 73' ' ' PHE . 42.0 t -92.0 138.2 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.74 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . 0.608 'CU ' ' SG ' ' A' ' 83' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -142.8 179.21 7.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 1.09 ' HB2' HG21 ' A' ' 23' ' ' ILE . . . -85.35 120.82 27.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.3 m -91.63 134.86 34.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.776 HG11 ' OH ' ' A' ' 81' ' ' TYR . 53.8 t -144.5 109.02 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.43 141.01 35.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.239 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -89.5 29.0 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.4 -141.03 3.22 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.462 1.101 . . . . 0.0 111.062 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.423 ' OG ' ' CG2' ' A' ' 15' ' ' VAL . 53.5 m -155.34 142.08 18.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 0.776 . . . . 0.0 110.002 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -74.51 58.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 t -153.62 -70.73 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.08 . . . . 0.0 109.966 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.59 42.46 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.559 1.162 . . . . 0.0 110.96 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.1 128.86 17.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 0.744 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.486 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -80.86 100.13 8.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.416 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.423 ' CG2' ' OG ' ' A' ' 9' ' ' SER . 26.8 m -145.06 138.98 22.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.598 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 40.7 m-85 -82.87 112.3 19.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.467 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 7.0 tt0 -144.11 131.86 10.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.271 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.663 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.95 132.06 26.26 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.003 -0.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.435 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 35.6 p -55.63 -36.12 66.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 m -122.85 128.12 49.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.364 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.663 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.2 m -134.05 143.57 37.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.6 m -129.01 111.0 12.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.409 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 1.09 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.7 pt -116.16 -179.49 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -74.49 173.33 10.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.802 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -99.31 105.46 17.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.435 1.084 . . . . 0.0 109.245 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 129.24 -6.19 6.34 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.422 1.076 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.53 -179.7 5.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 0.777 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.468 ' N ' ' CD ' ' A' ' 28' ' ' GLU . 6.4 mp0 -116.99 -179.96 3.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 110.349 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.942 HG22 ' HB3' ' A' ' 3' ' ' ALA . 9.5 t -139.33 150.7 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -117.18 156.35 27.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.698 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 5.8 m-90 -135.58 102.39 5.1 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 82.2 t -87.38 145.77 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -109.61 150.5 28.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -128.09 -79.16 0.58 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.223 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -140.33 175.0 9.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.593 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.3 OUTLIER 78.53 52.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.53 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -98.93 162.01 22.96 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.008 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.53 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.04 160.97 95.75 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 120.94 -2.525 . . . . 0.0 111.025 -0.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -138.83 122.81 17.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.653 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.455 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -109.92 -179.63 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.342 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.731 HG22 ' CE1' ' A' ' 43' ' ' PHE . 43.2 mt -141.6 103.48 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.613 HG13 ' HG2' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -107.48 133.28 52.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.731 ' CE1' HG22 ' A' ' 41' ' ' ILE . 3.0 m-85 -104.88 106.52 17.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -84.63 111.31 19.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.181 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.12 96.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -122.7 77.28 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.36 -27.55 8.87 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.816 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -96.17 177.64 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.47 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -77.33 128.46 34.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.1 -62.14 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.321 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.802 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -45.58 -62.62 1.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.522 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 2.0 m -42.6 -62.36 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.382 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.694 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -56.71 -26.71 57.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.802 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -62.67 -42.83 99.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -16.26 61.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.881 HD21 ' O ' ' A' ' 72' ' ' THR . 0.3 OUTLIER -105.4 0.4 26.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.544 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -87.71 111.5 21.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 110.06 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.807 ' CE1' ' CD1' ' A' ' 69' ' ' PHE . 5.1 m-70 -87.69 170.54 11.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.598 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.613 ' HG2' HG13 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -179.46 60.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.57 ' C ' HD22 ' A' ' 61' ' ' LEU . . . -106.06 171.94 18.37 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.453 1.096 . . . . 0.0 111.052 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.57 HD22 ' C ' ' A' ' 60' ' ' GLY . 3.6 mm? -121.44 75.05 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.421 0.718 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.5 145.61 36.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.539 ' CZ ' ' O ' ' A' ' 61' ' ' LEU . 4.7 m-85 -135.14 -44.03 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.83 128.69 35.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.3 86.02 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.89 -35.56 0.08 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -75.19 126.29 30.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 0.748 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.7 m -125.3 144.72 50.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.032 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.807 ' CD1' ' CE1' ' A' ' 58' ' ' HIS . 1.6 m-85 -92.33 168.99 10.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 95.1 m -140.57 157.96 44.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.359 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.414 ' OG ' ' CE1' ' A' ' 73' ' ' PHE . 2.0 p -143.96 173.5 11.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 109.954 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.881 ' O ' HD21 ' A' ' 56' ' ' LEU . 3.3 m -116.87 117.6 30.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.416 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.84 ' CE2' HG21 ' A' ' 29' ' ' VAL . 4.9 m-30 -105.72 65.08 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.6 p -87.75 -51.61 5.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.398 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.23 120.25 78.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 106.88 2.36 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.803 . . . . 0.0 111.052 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -169.2 -151.21 7.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.4 m -126.25 137.57 53.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 110.37 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.816 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 88.3 m-85 -129.62 98.65 4.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 54.9 m -80.94 105.98 12.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.444 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.776 ' OH ' HG11 ' A' ' 5' ' ' VAL . 20.4 p90 -117.38 118.81 33.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.582 1.176 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.96 ' HB3' HG13 ' A' ' 92' ' ' VAL . 0.4 OUTLIER -117.55 -179.37 3.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.12 127.47 33.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 108.328 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.499 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -53.81 -51.8 73.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -75.02 -52.75 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -89.02 44.26 1.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.397 1.06 . . . . 0.0 109.619 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -64.67 -58.06 7.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.27 65.83 0.24 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.22 -48.5 0.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 0.732 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 151.13 43.89 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -145.3 99.31 3.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.764 . . . . 0.0 110.966 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.96 HG13 ' HB3' ' A' ' 82' ' ' TYR . 3.4 t -145.76 157.27 12.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.567 ' O ' ' CD1' ' A' ' 81' ' ' TYR . . . -139.79 123.96 2.6 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.552 1.158 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.91 109.48 22.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.604 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 2.2 t -86.97 147.53 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.407 1.067 . . . . 0.0 109.362 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.4 t -140.27 136.66 37.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.558 1.162 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.562 HG22 ' CD2' ' A' ' 73' ' ' PHE . 97.8 t -123.07 139.64 49.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.229 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.802 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.765 ' H1 ' ' HD2' ' A' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -74.83 123.57 25.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.573 1.17 . . . . 0.0 109.361 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.568 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . -123.86 166.46 15.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.4 m -143.31 141.72 31.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.732 HG11 ' OH ' ' A' ' 81' ' ' TYR . 48.3 t -136.06 119.62 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.361 1.038 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -92.98 129.23 38.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 0.0 109.389 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.667 ' CG ' HD11 ' A' ' 41' ' ' ILE . 16.4 mtm -44.53 -73.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.3 -158.87 34.99 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.511 ' HB2' HG22 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -120.13 152.18 38.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 0.727 . . . . 0.0 110.01 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.71 66.17 1.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -154.68 -80.83 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.39 1.056 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.8 39.29 0.03 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.33 152.38 39.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.409 0.711 . . . . 0.0 109.338 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.708 HD12 ' HG3' ' A' ' 91' ' ' MET . 0.8 OUTLIER -88.42 99.69 12.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.511 HG22 ' HB2' ' A' ' 9' ' ' SER . 29.4 m -143.26 135.47 24.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.597 ' CD2' ' HE2' ' A' ' 91' ' ' MET . 39.3 m-85 -90.03 115.13 27.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.501 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 11.0 tt0 -143.76 134.46 12.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.327 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.676 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -74.95 133.9 33.47 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.996 -0.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.421 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 89.5 p -55.64 -30.61 61.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.954 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 m -133.24 136.84 45.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.369 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.676 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -139.6 152.15 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.754 HG23 HG12 ' A' ' 96' ' ' VAL . 15.6 m -139.85 114.9 9.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 110.434 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.642 HD11 ' CD2' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -124.49 -178.98 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.765 ' HD2' ' H1 ' ' A' ' 1' ' ' ALA . 29.0 mttp -74.23 173.62 9.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.68 113.58 25.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.18 -22.85 6.62 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.12 179.58 4.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 0.762 . . . . 0.0 110.267 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.413 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 22.1 pm0 -123.75 170.13 10.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.776 HG21 ' CE2' ' A' ' 73' ' ' PHE . 44.4 t -136.53 132.03 48.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -98.75 162.42 13.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.683 ' CD1' HD13 ' A' ' 41' ' ' ILE . 3.5 m-90 -125.97 172.72 9.7 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.4 t -143.59 140.22 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.405 ' ND2' ' HB1' ' A' ' 62' ' ' ALA . 0.3 OUTLIER -77.61 140.85 39.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 9' ' ' SER . 4.4 t-20 -135.02 -179.53 5.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -74.76 -178.84 3.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.652 HD22 ' N ' ' A' ' 36' ' ' LEU . 1.1 mm? 69.13 67.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.535 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -99.09 162.2 22.22 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.989 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.535 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.01 163.21 91.24 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.019 -2.492 . . . . 0.0 111.011 0.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.618 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -141.62 99.66 3.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.482 1.114 . . . . 0.0 109.663 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -99.43 174.1 6.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.683 HD13 ' CD1' ' A' ' 31' ' ' TRP . 96.5 mt -144.85 99.15 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 109.251 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.2 p -127.33 115.57 40.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.664 ' CD1' ' HB3' ' A' ' 79' ' ' TYR . 10.3 m-85 -71.74 143.71 49.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.773 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -110.13 106.76 16.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.49 96.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.4 m-20 -125.89 70.95 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.168 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.64 -10.6 27.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.039 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -110.8 -178.69 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.579 0.811 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.519 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -74.58 172.64 11.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.94 -63.51 1.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.64 -27.04 36.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.234 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.545 HG22 ' OH ' ' A' ' 79' ' ' TYR . 75.8 m -73.8 -51.31 16.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.597 1.186 . . . . 0.0 110.449 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.518 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -72.01 -11.5 60.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.1 -56.54 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -65.59 -27.82 68.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.628 HD11 ' O ' ' A' ' 72' ' ' THR . 0.5 OUTLIER -76.52 -25.79 54.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.6 p -86.36 158.55 19.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.062 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 76.4 m-70 -123.19 141.22 52.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.123 . . . . 0.0 109.595 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -122.03 56.18 1.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -124.53 -150.94 7.98 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.558 1.161 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.1 mp -138.77 -177.55 4.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 0.725 . . . . 0.0 109.32 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.405 ' HB1' ' ND2' ' A' ' 33' ' ' ASN . . . -145.08 98.57 3.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -129.28 -52.1 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.63 115.8 15.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.62 98.11 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 152.68 -21.55 0.81 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 111.06 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -74.88 122.79 23.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 0.746 . . . . 0.0 110.343 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.7 m -125.79 159.59 31.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.963 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.552 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 19.1 m-30 -122.13 167.02 13.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.409 1.068 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.425 ' O ' ' NE2' ' A' ' 58' ' ' HIS . 2.4 m -140.28 150.32 43.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.368 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.441 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 2.8 t -139.97 131.64 27.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.977 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.628 ' O ' HD11 ' A' ' 56' ' ' LEU . 7.2 m -76.14 116.63 17.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.776 ' CE2' HG21 ' A' ' 29' ' ' VAL . 4.6 m-30 -98.17 49.43 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.9 m -74.6 -70.12 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.414 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -53.17 118.51 14.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.271 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 100.31 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 0.0 111.04 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -158.81 -143.55 3.69 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.473 1.108 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 46' ' ' ASP . 6.1 t -132.51 140.02 48.16 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.445 0.732 . . . . 0.0 110.376 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 1.039 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 90.9 m-85 -138.67 120.83 15.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 80' ' ' THR . 0.7 OUTLIER -108.7 113.14 25.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.432 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.732 ' OH ' HG11 ' A' ' 5' ' ' VAL . 31.2 p90 -108.27 139.79 42.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.773 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -145.15 -179.75 6.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 111.018 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 87' ' ' ARG . 0.6 OUTLIER -81.89 113.09 19.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 108.257 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.533 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -43.27 -49.81 15.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.99 -43.41 0.4 Allowed 'Trans proline' 0 C--N 1.362 1.241 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.449 ' N ' ' CD2' ' A' ' 86' ' ' HIS . 0.2 OUTLIER -99.04 48.29 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.621 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 83' ' ' CYS . 9.6 ptt180 -84.71 1.84 44.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.52 1.137 . . . . 0.0 110.279 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -150.46 64.54 0.39 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.462 1.101 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -145.11 -46.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.238 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 146.63 44.25 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.708 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -145.28 98.96 3.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.77 . . . . 0.0 111.014 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.508 ' CG2' ' N ' ' A' ' 93' ' ' GLY . 0.2 OUTLIER -146.76 164.35 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.534 ' HA3' ' CE1' ' A' ' 81' ' ' TYR . . . -140.96 154.7 24.59 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -120.08 159.08 25.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 0.735 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.411 HG13 ' CE2' ' A' ' 73' ' ' PHE . 7.2 t -141.34 145.77 24.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.423 1.077 . . . . 0.0 109.358 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.754 HG12 HG23 ' A' ' 22' ' ' THR . 4.0 t -139.05 119.33 14.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.601 HG11 ' O ' ' A' ' 73' ' ' PHE . 78.3 t -110.17 129.93 64.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -144.53 133.06 22.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 1.071 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -87.35 137.35 32.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 84.6 m -143.97 104.28 4.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.367 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.563 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 85.9 t -103.9 152.84 6.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 pttm -127.75 117.53 22.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.365 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.57 ' SD ' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -75.3 119.09 18.95 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.26 107.87 0.05 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.2 p -45.01 153.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.749 . . . . 0.0 110.028 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -75.19 58.9 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.249 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 t -145.02 -66.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.0 43.11 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.72 136.48 25.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 0.797 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.669 HD12 ' HG3' ' A' ' 91' ' ' MET . 1.0 OUTLIER -88.25 100.38 12.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 m -144.12 132.33 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -80.42 110.95 16.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.602 1.189 . . . . 0.0 111.054 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.488 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -142.5 130.28 11.37 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.712 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -75.04 132.53 27.87 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.926 -2.531 . . . . 0.0 110.986 -0.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.426 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 83.5 p -54.93 -35.15 63.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.7 m -125.11 118.96 27.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.399 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.712 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -121.82 129.75 75.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.8 m -113.81 107.71 16.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.391 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 1.022 HG21 ' HB2' ' A' ' 3' ' ' ALA . 5.2 pt -116.29 -179.44 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -74.93 177.0 6.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.434 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -97.13 88.7 4.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.24 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 142.03 -13.03 2.6 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.554 1.159 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.414 ' HB3' HD12 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -74.57 -179.81 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.248 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.497 ' CG ' ' N ' ' A' ' 29' ' ' VAL . 16.1 tt0 -121.98 159.72 26.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.215 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.071 HG22 ' HB3' ' A' ' 3' ' ' ALA . 64.7 t -125.81 114.18 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -90.13 145.48 25.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.363 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.563 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 2.8 m-90 -123.32 144.96 49.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 108.011 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.5 t -127.5 138.43 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -101.58 129.01 47.59 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -115.2 -83.45 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.412 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -122.51 179.92 4.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.327 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.642 HD22 ' N ' ' A' ' 36' ' ' LEU . 0.5 OUTLIER 59.68 62.06 1.81 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.603 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -106.49 165.14 13.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.03 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.603 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.11 164.3 88.67 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.927 -2.531 . . . . 0.0 110.954 0.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.545 ' CD2' ' HB3' ' A' ' 7' ' ' MET . 1.6 m-70 -125.0 122.19 36.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.552 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 58' ' ' HIS . 20.7 t-20 -110.92 169.38 8.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.57 HD11 ' SD ' ' A' ' 7' ' ' MET . 56.0 mt -142.53 98.23 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.469 ' CG1' ' HG2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -110.47 130.54 63.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.253 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.762 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 0.7 OUTLIER -92.75 91.64 7.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 111.013 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.501 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -74.63 103.55 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.48 ' HB2' ' HA ' ' A' ' 50' ' ' ALA . . . -44.19 97.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 44' ' ' ALA . 2.7 m-20 -115.56 68.97 0.72 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.13 -22.34 27.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.943 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 2.5 p -92.46 -179.88 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.645 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -75.15 132.29 41.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 109.27 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.48 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . . . -59.7 -37.68 79.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.87 -40.18 91.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.69 HG21 ' OH ' ' A' ' 79' ' ' TYR . 12.6 m -69.44 -51.28 37.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.41 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.762 ' HB1' ' O ' ' A' ' 43' ' ' PHE . . . -59.48 -26.21 65.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.73 -39.31 80.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -75.8 -42.43 50.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.6 ' HB3' ' CE2' ' A' ' 43' ' ' PHE . 7.2 mp -78.71 0.5 26.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 1.1 m -92.06 146.53 23.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.453 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 46.6 m-70 -136.34 100.19 4.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.597 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 24.8 mttt -101.27 9.96 41.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.45 -60.57 8.3 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.54 HD22 ' HB2' ' A' ' 38' ' ' PRO . 0.4 OUTLIER 80.04 131.7 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -121.86 134.97 54.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 109.229 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.485 ' HE1' HD13 ' A' ' 61' ' ' LEU . 6.2 m-30 -110.51 34.84 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.69 159.6 41.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -101.46 98.92 9.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 155.85 -24.72 0.56 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.525 1.141 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -75.02 134.75 41.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 110.316 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 3.6 m -118.89 179.18 4.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.046 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.612 ' CD1' ' N ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -136.26 149.21 48.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 p -129.87 145.42 51.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 31.4 t -139.4 142.06 37.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.997 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.1 m -96.78 113.78 25.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 110.369 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.662 ' HB2' HD11 ' A' ' 23' ' ' ILE . 4.8 m-30 -96.78 64.55 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 45.7 m -81.6 -55.25 4.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.365 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -73.12 128.2 88.11 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.428 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.2 Cg_endo -74.99 126.84 10.23 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 167.43 -170.22 41.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.103 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.2 m -114.86 126.45 54.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 110.446 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.943 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 96.8 m-85 -116.44 101.41 8.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.3 m -75.71 93.56 3.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 20.7 p90 -104.28 131.97 51.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.612 ' HB3' HG13 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -135.02 179.99 5.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 110.974 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.86 129.81 34.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 108.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.4 OUTLIER -56.12 -52.21 74.52 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -75.04 -48.64 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.495 1.787 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.99 54.25 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.569 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.04 -57.91 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.17 67.57 0.54 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.49 -47.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 144.51 44.91 0.04 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.669 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -143.81 99.28 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 0.799 . . . . 0.0 110.954 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.612 HG13 ' HB3' ' A' ' 82' ' ' TYR . 40.1 t -145.99 158.88 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -129.33 161.54 22.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -133.13 99.2 4.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 0.764 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.595 HG13 ' CE2' ' A' ' 73' ' ' PHE . 2.4 t -77.94 151.54 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.6 t -145.0 103.19 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.357 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.589 HG22 ' CD2' ' A' ' 73' ' ' PHE . 30.0 t -90.03 143.45 11.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.434 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 26.1 t70 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -144.58 178.66 7.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 1.016 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -83.45 120.59 26.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 54.4 m -90.78 128.47 36.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.365 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.641 HG22 ' HD2' ' A' ' 18' ' ' PRO . 70.8 t -136.69 102.95 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -76.66 147.28 37.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.71 ' SD ' HD11 ' A' ' 41' ' ' ILE . 54.3 mtm -110.95 40.88 1.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 150.0 106.98 0.39 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.435 1.084 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.3 p -41.3 155.92 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 110.074 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -75.78 60.32 1.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.219 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.5 t -148.93 -69.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.06 46.8 0.02 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.514 1.134 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.23 121.79 14.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 0.762 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.02 101.58 7.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.4 m -143.09 137.5 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.436 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 20.4 m-85 -85.63 103.46 14.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -133.8 127.78 19.53 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.568 1.168 . . . . 0.0 110.209 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.811 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.96 137.79 52.33 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.032 -0.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.9 p -60.44 -22.97 64.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.5 m -140.27 127.4 20.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.381 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.811 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -130.72 147.04 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.43 1.082 . . . . 0.0 109.345 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.3 m -132.06 100.01 4.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.858 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.1 pp -108.36 -179.38 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.577 ' O ' HD12 ' A' ' 23' ' ' ILE . 32.5 mmtp -78.46 175.36 10.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.242 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.4 115.8 27.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 120.67 -19.96 8.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.426 1.079 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.76 175.39 8.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 0.0 110.334 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -116.45 176.1 5.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.016 HG22 ' HB3' ' A' ' 3' ' ' ALA . 3.9 t -144.88 142.56 22.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.426 ' CG ' ' HB2' ' A' ' 68' ' ' SER . 2.0 ttpt -115.28 155.31 27.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.452 ' CH2' ' HB3' ' A' ' 71' ' ' SER . 10.6 m-90 -129.45 108.32 10.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 6.6 p -89.75 137.92 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 46.0 p30 -103.45 166.54 10.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -146.9 -66.71 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.486 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -145.28 -179.14 6.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.577 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 2.2 mm? 67.66 47.91 1.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.57 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -95.77 164.44 18.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 110.025 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.57 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.06 159.13 98.4 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 120.943 -2.524 . . . . 0.0 110.993 0.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 2.2 m-70 -125.45 99.62 6.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.646 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -90.82 171.18 9.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.71 HD11 ' SD ' ' A' ' 7' ' ' MET . 66.4 mt -140.28 99.35 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -114.02 105.94 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.683 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 0.6 OUTLIER -77.23 104.9 8.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.406 1.066 . . . . 0.0 111.019 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.996 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -82.45 108.76 16.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' ALA . . . -40.08 96.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 44' ' ' ALA . 18.6 m-20 -124.46 63.45 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.38 -24.31 5.9 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.948 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -102.54 177.29 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.768 . . . . 0.0 109.273 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.484 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -74.6 141.37 44.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.231 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -61.0 -41.46 96.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.585 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 7.5 m-20 -62.09 -60.11 4.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.504 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -53.21 -36.18 60.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.419 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.571 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -79.6 -21.02 45.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.217 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -60.55 -39.91 89.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -79.41 -55.57 4.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.614 HD12 ' CE1' ' A' ' 79' ' ' TYR . 5.0 mt -49.79 -34.21 18.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 77.8 p -78.44 141.97 37.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.037 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.509 ' O ' HG13 ' A' ' 42' ' ' VAL . 21.3 m-70 -108.04 179.64 4.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 109.586 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -173.39 34.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.28 -123.72 4.85 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.583 1.177 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 tp -171.79 157.83 4.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 0.783 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -138.22 110.91 7.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.533 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 9.1 m-85 -136.27 38.18 2.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 111.043 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.404 ' HB3' ' HG3' ' A' ' 67' ' ' GLU . . . -145.31 117.15 8.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.63 101.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 118.1 39.47 0.75 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.404 ' HG3' ' HB3' ' A' ' 64' ' ' ALA . 0.1 OUTLIER -119.71 102.49 8.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 110.302 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.426 ' HB2' ' CG ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -111.74 138.34 48.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.994 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -89.64 177.96 6.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.1 m -141.32 151.58 43.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 1.072 . . . . 0.0 110.428 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.452 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 7.3 t -144.97 143.63 30.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.999 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.527 ' O ' HD21 ' A' ' 56' ' ' LEU . 21.1 m -94.11 114.82 27.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.341 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.64 ' CB ' HD11 ' A' ' 23' ' ' ILE . 4.5 m-30 -97.24 50.98 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -72.6 -70.28 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.72 123.77 76.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 118.72 5.37 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.498 1.788 . . . . 0.0 111.041 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.64 -149.14 6.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 m -137.89 101.47 4.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 110.463 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.948 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 94.9 m-85 -98.54 131.87 44.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.2 m -109.32 117.85 35.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.402 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.58 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 31.7 p90 -114.93 141.3 48.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.996 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -144.11 179.86 6.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 111.004 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 1.055 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 3.5 m -88.86 124.92 34.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.581 1.176 . . . . 0.0 108.265 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.479 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 2.2 mt-10 -42.96 -52.57 11.38 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.523 ' HG2' ' CE1' ' A' ' 86' ' ' HIS . 18.2 Cg_endo -74.98 -30.38 7.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.523 ' CE1' ' HG2' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -116.35 68.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.143 . . . . 0.0 109.599 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.27 -50.14 4.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.294 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -110.61 48.17 0.97 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -111.67 -36.96 5.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 146.34 -30.29 1.6 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.103 . . . . 0.0 111.029 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 1.055 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.1 OUTLIER -80.95 101.16 9.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 0.796 . . . . 0.0 111.019 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.958 HG13 ' HB3' ' A' ' 82' ' ' TYR . 2.6 t -145.31 156.62 13.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.455 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -118.19 171.63 14.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.11 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.98 128.93 20.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.683 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 76.2 t -106.09 145.03 14.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.5 t -142.73 100.96 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.417 HG22 ' CD2' ' A' ' 73' ' ' PHE . 61.0 t -94.1 145.37 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.546 1.154 . . . . 0.0 109.366 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . 0.61 'CU ' ' SG ' ' A' ' 83' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -144.14 176.75 9.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.993 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -84.25 148.14 26.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.3 m -119.1 141.91 48.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.139 . . . . 0.0 110.365 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.625 HG22 ' HD2' ' A' ' 18' ' ' PRO . 38.8 t -139.8 119.21 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.0 120.81 40.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.633 ' HE3' ' HB3' ' A' ' 39' ' ' HIS . 53.2 mtm -92.54 75.86 5.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 127.25 109.08 1.55 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.9 p -40.66 152.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 0.732 . . . . 0.0 109.979 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -74.94 61.57 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.76 -57.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.041 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.98 50.98 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.4 ' O ' HG22 ' A' ' 15' ' ' VAL . . . -136.6 126.89 26.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 0.719 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.729 HD13 ' CD2' ' A' ' 86' ' ' HIS . 3.2 pp -74.5 99.72 3.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 13' ' ' ALA . 3.1 m -145.84 145.93 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.637 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 2.8 m-85 -94.0 116.93 29.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.531 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -144.35 139.43 15.7 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.338 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.886 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.02 134.37 35.64 Favored 'Cis proline' 0 C--N 1.359 1.106 0 C-N-CA 121.03 -2.487 . . . . 0.0 110.952 0.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.433 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 13.8 t -49.83 -30.5 9.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -135.95 123.36 22.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.886 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -123.98 133.16 70.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 m -131.11 108.59 9.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.439 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.933 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.1 pt -120.02 -179.85 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.528 ' O ' HD12 ' A' ' 23' ' ' ILE . 17.7 mmtt -78.65 175.4 10.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.28 131.02 38.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.23 -25.54 21.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.21 179.7 4.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 0.74 . . . . 0.0 110.331 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -127.3 171.14 11.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.993 HG22 ' HB3' ' A' ' 3' ' ' ALA . 3.2 t -126.68 162.74 30.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.447 1.092 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.48 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 7.9 ttmt -133.06 141.86 48.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.643 ' CZ3' ' NE2' ' A' ' 58' ' ' HIS . 7.1 m-90 -111.3 160.05 17.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 108.008 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 5' ' ' VAL . 32.9 t -145.16 111.77 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.374 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.785 ' ND2' ' HB1' ' A' ' 62' ' ' ALA . 66.6 t30 -74.69 161.16 29.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -137.8 -86.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -138.14 -179.34 5.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.412 1.07 . . . . 0.0 109.352 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.602 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 2.8 mm? 68.4 39.36 2.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.628 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -77.51 167.31 37.31 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.025 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.628 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.01 167.37 80.64 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.984 0.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.633 ' HB3' ' HE3' ' A' ' 7' ' ' MET . 2.3 m-70 -140.38 100.32 3.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 109.552 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -105.91 161.81 14.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.668 HD13 ' CE1' ' A' ' 58' ' ' HIS . 2.1 mp -114.16 112.93 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.542 HG13 ' HG2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -120.36 101.63 11.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.618 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -80.22 97.99 7.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.525 1.141 . . . . 0.0 111.039 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.886 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -74.69 102.75 4.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.66 ' HB2' ' HA ' ' A' ' 50' ' ' ALA . . . -39.3 97.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 44' ' ' ALA . 10.7 t70 -125.9 75.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.27 -29.75 6.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.971 HG11 ' CD1' ' A' ' 79' ' ' TYR . 2.4 p -99.87 -179.55 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.529 0.782 . . . . 0.0 109.357 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.65 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -74.62 136.17 41.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.66 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . . . -58.55 -52.0 67.5 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.647 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -50.72 -47.37 59.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.373 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.609 HG21 ' OH ' ' A' ' 79' ' ' TYR . 85.7 m -59.63 -50.36 74.16 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.418 1.074 . . . . 0.0 110.374 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.64 -16.8 64.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -68.13 -44.77 75.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -81.61 -44.18 17.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.53 HD12 ' CE1' ' A' ' 79' ' ' TYR . 3.4 mt -56.44 -18.44 11.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 86.3 p -90.23 149.73 22.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.975 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.668 ' CE1' HD13 ' A' ' 41' ' ' ILE . 1.4 p80 -144.76 99.57 3.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.515 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.542 ' HG2' HG13 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -80.44 54.67 2.09 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.541 ' HA3' ' CZ ' ' A' ' 69' ' ' PHE . . . -86.96 128.1 8.76 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.461 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 4.2 mm? -79.74 123.66 27.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 0.782 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.785 ' HB1' ' ND2' ' A' ' 33' ' ' ASN . . . -89.24 100.55 13.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 6.4 m-85 -121.09 -40.96 2.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.573 1.17 . . . . 0.0 111.062 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.79 118.55 30.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.7 98.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.246 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 134.13 44.63 0.12 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.4 111.24 16.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 0.735 . . . . 0.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.5 p -112.07 139.07 47.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.962 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.541 ' CZ ' ' HA3' ' A' ' 60' ' ' GLY . 29.8 m-85 -106.21 175.24 5.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.689 HG23 ' O ' ' A' ' 29' ' ' VAL . 10.5 m -144.89 151.86 39.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.569 1.168 . . . . 0.0 110.415 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.419 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 8.1 t -141.27 135.59 30.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.172 . . . . 0.0 109.97 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.578 ' CG2' HG23 ' A' ' 74' ' ' THR . 13.1 m -81.06 118.84 22.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.354 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.602 ' CB ' HD11 ' A' ' 23' ' ' ILE . 4.0 m-30 -104.58 50.1 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.578 HG23 ' CG2' ' A' ' 72' ' ' THR . 2.5 p -73.99 -69.26 0.45 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.64 119.19 41.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.275 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 111.38 3.31 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.462 1.769 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -157.3 -140.58 2.97 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 86.4 m -144.93 93.17 2.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 0.73 . . . . 0.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.971 ' CD1' HG11 ' A' ' 48' ' ' VAL . 94.5 m-85 -90.83 135.55 33.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.077 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 21.1 m -116.18 112.6 21.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 110.436 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.586 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 32.3 p90 -114.56 142.84 45.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.886 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -145.4 -179.95 6.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 111.0 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.593 ' SG ' ' CE1' ' A' ' 86' ' ' HIS . 0.7 OUTLIER -86.26 155.9 20.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 108.305 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 6.2 mt-10 -80.85 -47.31 1.18 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 0.0 110.266 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.09 0.5 8.87 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.513 1.796 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 1.274 ' CE1' 'CU ' ' A' ' 132' ' ' ' CU' . 0.8 OUTLIER -171.78 83.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.578 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.17 11.41 37.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.64 37.97 0.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.095 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 86' ' ' HIS . . . -122.84 32.68 5.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 109.243 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 97.72 6.53 57.2 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.637 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -122.81 99.69 6.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 111.016 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.549 HG12 ' N ' ' A' ' 93' ' ' GLY . 58.0 t -146.05 168.46 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.252 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.549 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -150.44 132.5 3.96 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -116.61 121.2 41.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.744 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.61 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 55.9 t -105.11 146.73 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.2 t -145.32 101.63 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.407 HG22 ' CD2' ' A' ' 73' ' ' PHE . 31.4 t -93.66 144.62 9.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . 1.274 'CU ' ' CE1' ' A' ' 86' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.415 ' N ' ' HG3' ' A' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -76.03 128.53 35.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.844 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . -116.48 163.89 15.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.4 m -144.84 139.31 27.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.491 ' CG2' HG11 ' A' ' 21' ' ' VAL . 4.1 t -141.55 122.1 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -94.89 101.12 12.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.494 ' SD ' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -50.57 97.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.18 -173.52 19.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.561 1.163 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.9 p -102.27 159.92 14.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 0.74 . . . . 0.0 109.928 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.43 69.16 1.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.0 t 70.48 103.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.96 -72.59 0.22 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.6 173.59 11.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.777 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.621 HD13 ' CE1' ' A' ' 86' ' ' HIS . 0.6 OUTLIER -102.14 100.85 11.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.5 m -145.4 132.79 15.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.598 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 52.2 m-85 -75.44 123.09 24.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.468 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 8.1 tp10 -143.2 126.93 9.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.81 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.02 130.62 21.75 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.007 -0.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.435 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 82.6 p -48.87 -38.1 21.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.025 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.5 m -126.3 128.04 46.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.81 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.1 m -129.76 144.49 37.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.2 m -133.64 111.21 10.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.368 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.844 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 1.1 pt -119.32 -179.06 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.532 ' O ' HG13 ' A' ' 97' ' ' VAL . 10.9 mttt -74.64 176.79 6.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.45 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . . . -101.09 90.85 4.29 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 148.24 -17.83 1.34 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -81.81 179.39 7.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 0.796 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -120.52 176.11 5.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.275 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.568 HG21 ' CE2' ' A' ' 73' ' ' PHE . 91.9 t -136.43 127.82 43.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -101.71 136.67 41.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.382 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.433 ' O ' ' CB ' ' A' ' 68' ' ' SER . 1.0 OUTLIER -106.31 172.39 6.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 108.039 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.1 t -144.15 136.12 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -75.64 113.26 12.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -107.96 -165.9 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.448 ' CB ' HD22 ' A' ' 36' ' ' LEU . 16.8 mmtt -77.33 -178.94 5.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.554 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.2 mm? 69.36 53.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.521 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -97.35 162.13 23.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.966 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.53 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.3 Cg_endo -75.07 163.7 90.07 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 120.962 -2.516 . . . . 0.0 111.009 0.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -139.03 129.0 25.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.571 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -119.26 169.63 9.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.666 HG21 ' CE1' ' A' ' 58' ' ' HIS . 2.4 mp -133.13 99.72 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.217 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.39 113.7 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.623 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -89.66 98.51 11.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.854 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -76.5 104.54 7.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.64 97.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 44' ' ' ALA . 41.1 t0 -122.44 75.24 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.41 -26.52 8.56 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.464 1.103 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.624 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -101.29 179.84 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 0.792 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.511 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -76.34 143.51 40.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.461 1.101 . . . . 0.0 109.355 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.37 -67.66 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.765 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -40.5 -41.29 1.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.789 HG22 ' HE2' ' A' ' 79' ' ' TYR . 2.9 m -60.64 -71.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -48.13 -24.41 1.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.765 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -57.37 -70.41 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -56.49 -25.5 51.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.623 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -79.46 -19.35 50.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.407 1.067 . . . . 0.0 109.277 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 53' ' ' ALA . 87.1 p -91.62 140.78 29.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.994 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.666 ' CE1' HG21 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -128.57 99.48 5.39 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.606 1.191 . . . . 0.0 109.659 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.451 ' O ' HD22 ' A' ' 61' ' ' LEU . 0.9 OUTLIER -76.13 -32.96 59.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.66 110.22 0.1 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 2.0 mm? -69.66 158.42 35.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.276 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.44 122.43 15.59 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 3.5 m-85 -122.34 34.56 5.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.941 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.49 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . . . -138.12 128.56 26.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.75 86.54 3.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.409 1.068 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 164.08 -30.96 0.25 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.49 ' CD ' ' HB3' ' A' ' 64' ' ' ALA . 2.5 mp0 -78.25 111.28 14.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 0.3 OUTLIER -105.62 172.52 6.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -121.38 171.15 8.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.6 m -144.64 153.57 41.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 55.6 p -144.76 162.98 35.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.971 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.558 ' O ' HD11 ' A' ' 56' ' ' LEU . 6.4 m -115.8 110.83 19.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.778 ' CB ' HD11 ' A' ' 23' ' ' ILE . 4.5 m-30 -95.5 58.62 2.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 m -80.41 -65.96 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.19 122.52 70.51 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 106.23 2.23 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.537 1.809 . . . . 0.0 111.007 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.56 -152.08 5.93 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.546 1.154 . . . . 0.0 111.017 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 m -136.06 100.22 4.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 0.765 . . . . 0.0 110.361 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.789 ' HE2' HG22 ' A' ' 52' ' ' THR . 78.5 m-85 -95.37 137.02 35.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.7 p -122.0 108.73 13.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.376 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.599 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 32.7 p90 -111.06 129.01 56.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 0.0 111.013 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.854 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -133.55 -179.43 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.945 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 86' ' ' HIS . 0.5 OUTLIER -93.15 133.88 35.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 108.305 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.506 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 4.5 mt-10 -51.17 -51.62 66.44 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.568 1.168 . . . . 0.0 110.264 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -74.97 -17.03 19.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.481 1.779 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.621 ' CE1' HD13 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -131.07 65.8 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.618 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.558 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 12.3 mtp180 -86.08 -51.46 6.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 110.256 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -121.33 38.95 2.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -97.99 -40.11 8.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 154.81 -32.56 0.68 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.56 1.162 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -83.21 98.72 9.53 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.446 0.733 . . . . 0.0 110.943 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 93' ' ' GLY . 54.2 t -146.47 165.48 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.482 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -126.72 155.29 19.56 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.428 1.08 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.38 109.08 8.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 0.732 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.587 HG11 ' CE2' ' A' ' 73' ' ' PHE . 2.2 t -97.44 147.27 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.1 t -145.49 116.87 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 24' ' ' LYS . 19.9 t -102.4 149.54 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -75.02 164.09 26.91 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 109.375 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 1.003 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -77.49 145.96 36.72 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 53.3 m -137.84 129.74 28.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.799 HG22 ' HD2' ' A' ' 18' ' ' PRO . 61.2 t -126.85 145.25 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -114.62 128.84 56.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.51 ' HE1' ' HB3' ' A' ' 31' ' ' TRP . 3.2 ptp -93.57 45.77 1.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.451 ' O ' ' ND2' ' A' ' 34' ' ' ASN . . . 162.09 97.66 0.12 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.52 1.138 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.7 p -48.43 148.95 1.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 109.972 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.71 59.92 1.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.6 -62.1 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.987 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.82 44.19 0.02 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.569 1.168 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.93 124.49 13.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 0.792 . . . . 0.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.994 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -76.14 99.9 4.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.3 m -138.49 153.7 26.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.674 ' CD1' ' HE2' ' A' ' 91' ' ' MET . 11.2 m-85 -103.84 101.8 11.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 111.052 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.511 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.9 tt0 -136.33 137.2 23.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.343 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.799 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.0 Cg_endo -75.03 133.53 31.82 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.946 -2.522 . . . . 0.0 110.96 0.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.436 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 56.4 p -54.91 -36.0 64.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.459 1.099 . . . . 0.0 110.005 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.1 m -123.54 120.83 34.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.452 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.795 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.3 m -126.78 128.89 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.3 m -120.19 116.31 25.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.95 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.1 pt -121.39 -179.28 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -75.37 175.91 7.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.594 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -98.13 102.67 14.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 135.76 -22.64 3.46 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.496 1.122 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.35 -179.35 4.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.743 . . . . 0.0 110.276 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.51 177.79 6.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.003 HG22 ' HB3' ' A' ' 3' ' ' ALA . 24.7 t -138.51 155.43 28.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 4' ' ' THR . 12.2 ttpt -134.96 136.21 42.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.207 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.559 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 22.7 m-90 -107.84 126.28 52.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 108.027 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.1 t -104.08 128.28 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -88.51 153.77 20.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.234 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 8' ' ' GLY . 6.3 m-20 -131.61 -73.31 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.1 176.81 9.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.994 HD13 ' HB3' ' A' ' 14' ' ' LEU . 1.3 mt 72.06 69.43 0.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.561 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -110.69 163.63 16.79 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.728 ' HB2' HD12 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -74.93 162.31 93.08 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.023 -2.49 . . . . 0.0 111.052 -0.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.61 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -133.2 124.34 27.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.594 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.464 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.4 OUTLIER -119.58 163.57 17.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.232 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mt -128.01 99.8 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -106.59 120.51 57.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.608 ' CD1' ' HB3' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -92.28 103.45 15.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.859 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -79.67 106.07 11.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' ALA . . . -39.8 97.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -131.7 72.59 1.5 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.44 -12.55 9.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.693 HG11 ' CE2' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -122.17 179.63 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.524 0.779 . . . . 0.0 109.339 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.446 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -74.98 149.65 39.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.356 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -64.98 -50.64 65.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.493 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 12.7 m-20 -55.29 -52.28 63.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.752 HG22 ' HE2' ' A' ' 79' ' ' TYR . 1.3 m -57.55 -30.41 65.2 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.411 1.07 . . . . 0.0 110.378 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -86.45 -18.83 30.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -61.26 -51.46 68.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.28 -52.73 14.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.422 HD11 ' O ' ' A' ' 72' ' ' THR . 0.1 OUTLIER -50.2 -33.85 20.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 76.6 p -77.37 149.23 35.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 110.049 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.484 ' O ' HG13 ' A' ' 42' ' ' VAL . 37.7 m-70 -120.04 -179.81 4.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.692 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.401 ' O ' HD22 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -166.37 -50.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -40.59 99.23 0.01 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.467 1.104 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.728 HD12 ' HB2' ' A' ' 38' ' ' PRO . 2.2 mm? -52.99 155.1 2.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 0.745 . . . . 0.0 109.337 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -129.76 137.53 50.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.413 ' CE1' ' HB3' ' A' ' 61' ' ' LEU . 4.6 m-85 -127.85 45.39 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.92 100.24 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.86 82.39 0.2 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.67 -35.28 0.1 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.451 1.095 . . . . 0.0 110.955 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.14 160.34 30.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 0.759 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 3.3 p -145.19 133.27 21.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.011 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -78.65 166.42 22.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 53.7 m -132.29 160.6 35.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.358 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.415 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 5.6 t -145.55 147.08 31.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 1.026 HG22 HG23 ' A' ' 74' ' ' THR . 99.4 m -92.7 128.15 38.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.156 . . . . 0.0 110.382 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.7 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 3.2 m-85 -117.46 41.59 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 1.026 HG23 HG22 ' A' ' 72' ' ' THR . 61.3 p -67.72 -70.23 0.27 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.427 1.08 . . . . 0.0 110.414 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.404 ' N ' ' OG1' ' A' ' 74' ' ' THR . 8.2 tt0 -67.99 132.18 92.17 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 125.79 9.57 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.42 1.747 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -166.18 -161.08 14.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.5 m -133.22 94.48 3.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 0.76 . . . . 0.0 110.413 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.752 ' HE2' HG22 ' A' ' 52' ' ' THR . 74.6 m-85 -93.08 138.13 31.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 111.054 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.5 m -121.4 109.44 14.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 110.375 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.597 ' OH ' HG11 ' A' ' 5' ' ' VAL . 30.4 p90 -112.76 138.78 49.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.14 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.859 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -145.07 -179.8 6.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -78.86 120.1 22.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 108.332 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.547 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -46.32 -49.05 44.63 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.08 -57.86 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.431 ' ND1' HD13 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -82.06 53.08 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.61 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.559 ' HG3' ' CD1' ' A' ' 82' ' ' TYR . 14.3 ttp-105 -91.63 33.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.336 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 169.51 56.15 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -144.04 -53.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.43 39.99 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.444 1.09 . . . . 0.0 110.972 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.674 ' HE2' ' CD1' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -144.57 99.13 3.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.595 0.82 . . . . 0.0 110.999 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 93' ' ' GLY . 45.7 t -145.81 165.18 10.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.484 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -148.63 149.36 21.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.571 1.169 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.93 108.11 7.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.75 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.7 HG21 ' HZ ' ' A' ' 73' ' ' PHE . 1.5 t -89.81 152.7 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.3 t -145.98 105.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.665 HG22 ' CD2' ' A' ' 73' ' ' PHE . 37.3 t -89.4 145.03 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.594 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -115.77 176.9 4.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.382 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.991 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -84.05 120.14 25.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.0 m -93.01 126.81 38.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.464 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.839 HG22 ' HD2' ' A' ' 18' ' ' PRO . 24.6 t -137.92 104.42 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.15 124.43 33.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.4 ptt? -83.84 45.49 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 174.87 158.21 18.31 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.478 ' OG ' ' CG2' ' A' ' 15' ' ' VAL . 10.9 m -105.02 138.72 40.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 0.809 . . . . 0.0 109.96 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -74.78 62.45 1.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.07 -63.03 0.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 110.014 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.99 44.36 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.455 1.097 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.4 162.16 37.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.761 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.583 HD13 ' CE1' ' A' ' 86' ' ' HIS . 0.5 OUTLIER -110.75 101.9 10.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.478 ' CG2' ' OG ' ' A' ' 9' ' ' SER . 12.1 m -143.29 177.65 2.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.417 1.073 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.544 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 61.6 m-85 -121.95 119.47 31.61 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.7 OUTLIER -145.3 130.55 9.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.266 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.839 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.2 Cg_endo -74.99 136.57 45.84 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.014 -2.494 . . . . 0.0 110.995 -0.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.2 p -55.35 -35.1 64.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.068 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.4 m -132.24 141.4 49.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.393 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.659 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -142.86 153.27 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.2 m -131.85 100.99 5.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.391 1.057 . . . . 0.0 110.432 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.917 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.4 pp -110.46 -179.45 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.742 ' O ' HD12 ' A' ' 23' ' ' ILE . 21.6 mttt -76.35 179.79 5.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.431 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -100.76 104.71 15.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 119.99 11.63 6.87 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.753 ' HB3' HD13 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -94.51 -179.86 5.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 0.735 . . . . 0.0 110.27 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.435 ' CD ' ' O ' ' A' ' 71' ' ' SER . 3.3 tp10 -122.29 146.14 47.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.991 HG22 ' HB3' ' A' ' 3' ' ' ALA . 16.1 t -121.76 128.02 75.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.441 ' CG ' ' HB3' ' A' ' 68' ' ' SER . 1.3 ttmp? -99.95 149.47 23.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.579 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 5.2 m-90 -123.5 128.53 49.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 108.018 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.1 t -87.92 134.49 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.38 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -77.78 119.78 21.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -101.61 -173.78 2.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.779 ' C ' HD12 ' A' ' 36' ' ' LEU . 3.2 mmmt -79.97 178.86 7.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.779 HD12 ' C ' ' A' ' 35' ' ' LYS . 2.0 mp 75.45 34.18 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.382 1.051 . . . . 0.0 109.26 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.5 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -68.38 160.98 73.1 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.945 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.581 ' HB2' HD12 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -75.0 150.8 96.04 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 121.047 -2.48 . . . . 0.0 110.983 -0.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -132.18 100.76 5.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 109.589 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.779 ' HB3' HD13 ' A' ' 61' ' ' LEU . 11.8 p-10 -100.14 177.19 5.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.238 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.504 HD13 ' CG ' ' A' ' 31' ' ' TRP . 7.3 mt -137.35 103.32 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -106.82 125.55 62.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.613 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -100.48 95.82 6.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.954 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.797 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -75.19 127.38 33.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.14 95.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' ALA . 52.9 t0 -119.46 52.81 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.09 -9.13 7.08 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.667 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -120.57 176.58 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.463 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -75.95 141.57 42.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.903 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.07 -28.06 69.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.389 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.421 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 16.3 m-20 -69.08 -60.72 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.497 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -59.27 -24.85 63.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.413 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.42 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -85.06 -20.92 29.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -64.31 -52.52 58.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.04 -37.13 78.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.718 HD11 ' O ' ' A' ' 72' ' ' THR . 0.1 OUTLIER -70.67 -22.74 62.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.409 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.1 m -81.18 157.25 25.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.423 ' ND1' ' CD1' ' A' ' 69' ' ' PHE . 65.5 m-70 -134.23 100.27 4.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.59 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -84.55 -53.43 5.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -40.24 105.04 0.05 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.457 1.098 . . . . 0.0 111.05 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.779 HD13 ' HB3' ' A' ' 40' ' ' ASN . 2.4 mm? -50.66 179.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.24 133.78 22.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 109.232 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.574 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 11.1 m-85 -130.54 39.42 3.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.29 127.63 19.87 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.43 77.88 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.21 -33.58 0.1 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -74.54 151.59 39.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 110.321 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 67.1 m -135.54 139.52 44.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.423 ' CD1' ' ND1' ' A' ' 58' ' ' HIS . 0.8 OUTLIER -81.32 170.51 15.94 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.93 144.67 35.31 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.423 1.077 . . . . 0.0 110.409 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.435 ' O ' ' CD ' ' A' ' 28' ' ' GLU . 1.3 p -141.78 160.31 40.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.718 ' O ' HD11 ' A' ' 56' ' ' LEU . 13.7 m -110.48 127.66 55.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.393 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.685 ' CB ' HD11 ' A' ' 23' ' ' ILE . 4.6 m-30 -106.34 52.4 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.6 m -72.28 -61.34 1.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 110.447 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.26 119.49 62.46 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.421 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.1 Cg_endo -75.08 106.22 2.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.79 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.0 -148.57 5.09 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 51.5 m -138.48 99.3 3.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 0.728 . . . . 0.0 110.453 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.682 ' CE2' HD13 ' A' ' 56' ' ' LEU . 69.1 m-85 -89.71 145.43 25.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 111.083 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.6 m -129.9 111.93 13.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.355 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.613 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 29.5 p90 -114.11 139.33 49.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.797 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -137.1 177.91 7.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.951 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 1.28 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 94.4 m -82.05 133.04 35.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 108.335 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 1.1 mt-10 -57.18 -50.53 87.65 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.11 -46.52 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.503 1.791 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.583 ' CE1' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -93.35 42.81 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.596 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -68.05 -53.28 26.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 110.34 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -110.15 52.45 0.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.39 -41.8 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 138.35 45.05 0.08 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.567 1.167 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 1.28 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.3 OUTLIER -144.9 99.65 3.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 111.048 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.539 HG12 ' N ' ' A' ' 93' ' ' GLY . 38.3 t -146.0 169.54 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.539 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -135.71 175.56 20.71 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -144.74 134.87 24.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 0.0 109.246 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.585 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 2.1 t -120.86 148.61 23.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.6 t -138.51 113.69 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.548 HG22 ' CD2' ' A' ' 73' ' ' PHE . 89.2 t -96.31 142.08 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.431 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.59 173.51 9.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.231 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 1.027 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -77.63 148.2 35.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.9 m -131.26 149.55 52.52 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 0.0 110.369 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 31' ' ' TRP . 95.4 t -144.14 111.61 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.356 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -87.76 137.38 32.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.463 ' HB3' ' HE3' ' A' ' 7' ' ' MET . 11.9 tmm? -111.24 121.09 44.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 111.014 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 9' ' ' SER . . . 84.95 91.73 0.8 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.431 1.082 . . . . 0.0 111.008 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 8' ' ' GLY . 80.9 p -38.25 151.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 0.735 . . . . 0.0 110.024 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -74.79 58.53 0.83 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.47 -65.02 0.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.041 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.16 45.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.556 1.16 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.11 120.09 10.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.702 HD13 ' ND1' ' A' ' 86' ' ' HIS . 0.5 OUTLIER -75.59 100.91 4.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.2 m -144.94 135.3 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.592 1.182 . . . . 0.0 109.218 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.572 ' CE2' ' HG2' ' A' ' 91' ' ' MET . 93.2 m-85 -84.93 117.75 24.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 2.4 mt-10 -145.33 126.18 7.44 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.509 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.0 134.8 37.6 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.998 -2.501 . . . . 0.0 111.048 -0.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.9 p -64.3 -29.74 70.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.952 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.7 m -124.57 124.69 42.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.509 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -133.46 138.07 51.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.225 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -126.15 101.41 6.75 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 0.0 110.389 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.89 HG21 ' HB2' ' A' ' 3' ' ' ALA . 2.0 pt -111.62 -178.57 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.157 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -73.69 177.24 5.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.585 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -99.02 91.51 5.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 145.66 -16.47 1.81 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.465 1.103 . . . . 0.0 111.047 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.505 ' HB3' HD12 ' A' ' 23' ' ' ILE . 3.2 tt0 -75.19 179.22 5.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.754 . . . . 0.0 110.315 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -123.95 153.88 40.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.027 HG22 ' HB3' ' A' ' 3' ' ' ALA . 10.7 t -127.25 129.24 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -99.29 148.35 24.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.436 ' O ' ' HA ' ' A' ' 68' ' ' SER . 5.0 m-90 -115.64 101.54 8.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.534 1.146 . . . . 0.0 107.986 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 11.5 t -85.99 148.46 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -121.3 171.82 8.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.245 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -152.61 -69.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.581 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -131.04 -179.71 5.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.601 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 2.3 mm? 66.38 69.95 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.582 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -131.1 164.27 43.44 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.985 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.582 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.02 163.84 89.77 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.963 -2.515 . . . . 0.0 111.032 -0.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.601 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -145.39 135.63 23.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 109.625 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -105.94 175.18 5.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 74.9 mt -142.43 99.22 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.426 ' CG1' ' HG2' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -112.75 122.42 66.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.615 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -92.97 100.71 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 111.042 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.987 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -75.96 132.19 40.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.0 91.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -119.16 78.0 1.25 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.17 -26.53 16.68 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.831 HG11 ' CE1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -101.15 -179.75 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.581 0.813 . . . . 0.0 109.359 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.521 ' O ' HG13 ' A' ' 48' ' ' VAL . 2.9 m-20 -74.86 167.74 21.28 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.54 -69.96 0.5 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.633 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 2.2 m-20 -41.47 -47.12 3.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.517 HG22 ' HE1' ' A' ' 79' ' ' TYR . 1.6 m -53.53 -53.72 47.54 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.115 . . . . 0.0 110.451 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -66.61 -22.34 66.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -65.68 -27.2 68.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.48 -38.24 14.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.611 HD12 ' CE1' ' A' ' 79' ' ' TYR . 4.8 mt -74.15 -22.06 59.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 53' ' ' ALA . 23.2 m -74.22 137.8 43.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -114.96 99.51 7.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.644 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.426 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 4.8 mtpm? -101.41 52.57 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.605 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -108.23 -154.09 17.39 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.834 HD12 ' CE1' ' A' ' 63' ' ' PHE . 0.5 OUTLIER -140.2 111.14 6.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.19 99.9 10.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.834 ' CE1' HD12 ' A' ' 61' ' ' LEU . 3.7 m-85 -132.88 41.87 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.03 116.8 8.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.99 87.45 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.86 44.08 0.16 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.92 143.33 48.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 0.726 . . . . 0.0 110.365 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 32.3 p -144.07 133.86 23.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.025 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.418 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 4.2 m-85 -76.72 -179.81 5.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 p -142.51 141.31 32.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.366 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.3 t -128.25 142.96 51.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.033 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 29.1 m -94.01 96.35 9.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.354 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.594 ' CD2' HD11 ' A' ' 23' ' ' ILE . 3.8 m-30 -82.42 56.8 3.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.6 m -85.23 -64.13 1.21 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.89 126.85 88.12 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 115.62 4.34 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -170.09 -147.11 5.39 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.3 m -144.02 112.13 6.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 0.785 . . . . 0.0 110.397 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.831 ' CE1' HG11 ' A' ' 48' ' ' VAL . 96.1 m-85 -104.63 142.91 33.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.4 m -118.87 110.08 16.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.083 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.573 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 52.0 p90 -105.29 134.77 47.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.987 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -145.9 -179.29 6.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 0.0 110.985 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 1.041 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 8.4 m -85.31 147.09 26.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 108.328 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.517 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 2.1 mt-10 -70.1 -50.81 15.4 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.97 -45.46 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.786 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.702 ' ND1' HD13 ' A' ' 14' ' ' LEU . 26.5 m170 -92.02 38.38 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 109.636 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 87' ' ' ARG . 5.3 ttp-105 -65.39 -59.39 4.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 110.329 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.23 69.42 0.3 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.27 -47.35 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 0.81 . . . . 0.0 109.292 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 147.07 44.71 0.03 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.577 1.173 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 1.041 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.7 OUTLIER -145.17 98.88 3.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.405 0.709 . . . . 0.0 110.995 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.544 HG12 ' N ' ' A' ' 93' ' ' GLY . 40.7 t -146.54 169.56 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.544 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -142.72 156.46 26.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.23 143.4 50.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 0.794 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.544 ' CG1' ' CE2' ' A' ' 73' ' ' PHE . 40.8 t -122.79 146.91 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.6 t -138.99 102.65 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.379 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.493 HG22 ' CD2' ' A' ' 73' ' ' PHE . 32.8 t -99.16 140.49 18.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.585 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 1.8 t0 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -81.91 173.57 12.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 109.233 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.919 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . -82.37 156.89 23.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 99.0 m -141.65 137.96 32.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.356 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.645 HG11 ' OH ' ' A' ' 81' ' ' TYR . 46.8 t -144.35 109.11 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.212 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -74.63 142.41 44.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.452 ' HE3' ' HB3' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -95.88 89.47 5.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 9' ' ' SER . . . 93.13 127.41 4.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 8' ' ' GLY . 0.8 OUTLIER -43.06 166.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 110.01 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.417 ' O ' ' HB3' ' A' ' 11' ' ' SER . 10.9 p30 -73.17 67.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.417 ' HB3' ' O ' ' A' ' 10' ' ' ASP . 35.7 t 66.85 99.62 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.989 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.13 -65.59 0.2 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.31 133.64 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.526 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -75.42 99.79 4.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.0 m -145.26 133.23 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.137 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.507 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 82.8 m-85 -79.15 116.0 19.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.452 1.095 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.458 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -141.24 126.23 10.76 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 110.318 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.634 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.0 130.19 20.64 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.039 -2.484 . . . . 0.0 111.0 0.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.426 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 84.7 p -37.86 -39.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.08 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 94' ' ' LYS . 7.3 t -151.36 157.93 43.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.427 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.838 HG21 ' HB1' ' A' ' 3' ' ' ALA . 0.8 OUTLIER -139.77 168.34 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.361 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.489 HG23 HG12 ' A' ' 96' ' ' VAL . 18.7 m -133.78 103.17 5.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.423 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.919 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 6.8 pt -109.96 -179.83 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.436 ' O ' HG13 ' A' ' 97' ' ' VAL . 5.6 mmtt -75.05 178.04 5.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.469 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -97.43 93.71 6.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.361 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.0 -19.11 2.15 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.795 ' HB3' HD12 ' A' ' 23' ' ' ILE . 2.3 tt0 -76.15 -179.85 5.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 0.733 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -124.97 -179.5 4.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.941 HG21 ' CE2' ' A' ' 73' ' ' PHE . 38.4 t -131.86 162.56 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.583 1.177 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.445 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 1.5 tttp -137.8 131.46 31.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.338 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.561 ' CD1' HD13 ' A' ' 41' ' ' ILE . 10.5 m-90 -105.54 156.52 18.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 108.008 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.5 t -140.0 129.66 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -95.14 150.83 19.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.584 1.177 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -131.88 -77.01 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.11 176.54 9.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.526 HD13 ' HB3' ' A' ' 14' ' ' LEU . 0.4 OUTLIER 80.0 45.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.566 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -91.89 163.94 25.7 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.969 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.566 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.01 164.39 88.51 Favored 'Cis proline' 0 C--N 1.359 1.104 0 C-N-CA 121.049 -2.48 . . . . 0.0 110.962 0.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.643 ' H ' ' HB3' ' A' ' 62' ' ' ALA . 0.7 OUTLIER -139.23 137.55 36.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -124.53 172.64 9.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.631 HG22 ' CE1' ' A' ' 43' ' ' PHE . 9.8 mt -139.66 99.27 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -111.41 126.85 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.631 ' CE1' HG22 ' A' ' 41' ' ' ILE . 2.4 m-85 -95.1 103.18 15.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.593 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -79.46 101.45 8.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.78 97.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.2 m-20 -124.39 85.28 2.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.99 -34.18 5.59 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.57 1.169 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.045 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -89.49 -178.86 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.547 0.792 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.524 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -74.06 169.18 18.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.62 -59.78 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.641 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -52.37 -54.77 27.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.507 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 16.4 m -46.37 -61.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.438 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.495 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -56.3 -34.2 66.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -58.41 -21.91 52.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.13 -30.03 16.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.241 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.605 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 5.7 mp -92.09 -1.43 57.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.542 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -83.83 119.76 25.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 110.006 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 3.5 m-70 -94.5 170.28 9.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.59 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.21 52.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.485 ' HA3' ' CZ ' ' A' ' 69' ' ' PHE . . . -107.13 138.7 14.62 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -86.69 128.83 35.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 0.792 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.643 ' HB3' ' H ' ' A' ' 39' ' ' HIS . . . -89.87 120.21 30.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.513 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 8.7 m-85 -146.86 -45.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.601 1.188 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.55 116.14 27.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.44 92.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.165 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.17 44.98 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.024 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.16 100.98 7.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 110.241 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 10.2 p -108.82 125.54 52.08 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 32.4 m-85 -92.9 173.1 7.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.805 HG23 ' O ' ' A' ' 29' ' ' VAL . 11.2 m -145.96 149.89 35.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.5 t -138.34 144.57 40.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.929 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.574 ' O ' HD11 ' A' ' 56' ' ' LEU . 18.8 m -93.51 107.26 19.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.941 ' CE2' HG21 ' A' ' 29' ' ' VAL . 5.9 m-30 -91.61 50.85 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.6 m -70.68 -64.47 0.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.404 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -62.1 122.86 75.24 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 123.09 7.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 177.64 -138.69 3.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.433 1.083 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.0 t -145.18 130.38 18.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 110.371 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 1.045 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 93.2 m-85 -126.84 113.37 16.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 61.3 p -95.14 118.69 32.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.645 ' OH ' HG11 ' A' ' 5' ' ' VAL . 36.8 p90 -119.49 142.28 48.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.593 ' CZ ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -141.19 179.91 6.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.62 146.77 32.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 108.362 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.499 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -73.28 -51.86 5.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.266 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -74.89 -49.48 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.538 1.809 . . . . 0.0 111.057 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -91.12 46.58 1.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.633 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.405 ' NH1' ' HB3' ' A' ' 87' ' ' ARG . 16.0 ttp-105 -67.97 -55.46 12.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.91 60.67 0.34 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.58 1.175 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.14 -46.08 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 144.83 43.76 0.04 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.507 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -145.44 100.18 3.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.623 0.837 . . . . 0.0 111.047 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 93' ' ' GLY . 97.2 t -142.92 165.98 15.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.515 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -136.43 174.48 21.5 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 20' ' ' THR . 2.2 tttp -144.99 148.52 33.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 109.327 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.713 HG13 ' CE2' ' A' ' 73' ' ' PHE . 40.5 t -127.19 144.35 37.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.489 HG12 HG23 ' A' ' 22' ' ' THR . 7.3 t -138.39 120.36 17.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.435 1.084 . . . . 0.0 109.263 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.492 HG11 ' O ' ' A' ' 73' ' ' PHE . 48.8 t -121.76 139.61 48.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.469 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -142.67 179.17 7.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 1.073 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -75.28 131.15 40.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.413 1.071 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.9 m -90.52 125.4 35.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.404 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.59 ' CG2' HG11 ' A' ' 21' ' ' VAL . 21.5 t -143.5 100.43 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.368 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -87.45 135.22 33.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.623 ' SD ' HD11 ' A' ' 41' ' ' ILE . 1.0 OUTLIER -75.37 -121.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 9' ' ' SER . . . -43.83 122.82 4.33 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.417 1.073 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 8' ' ' GLY . 83.6 p -43.13 165.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.967 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -74.59 68.71 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.22 95.04 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.068 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 169.51 -71.2 0.14 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.82 132.41 20.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.772 . . . . 0.0 109.268 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.04 99.99 4.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.4 m -145.15 141.97 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.57 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 71.5 m-85 -80.01 124.98 29.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.568 1.167 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -137.99 131.82 16.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 110.276 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.893 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.6 Cg_endo -74.94 132.61 28.12 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 121.001 -2.499 . . . . 0.0 111.034 -0.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.429 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 38.0 p -42.64 -37.02 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.5 m -133.39 117.73 17.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.374 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.893 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -114.64 144.77 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.461 HG23 HG12 ' A' ' 96' ' ' VAL . 17.3 m -133.4 103.71 6.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 1.022 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.1 pt -111.55 176.83 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.481 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -74.92 173.63 10.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.355 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.93 131.07 38.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.94 -11.97 57.52 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.37 178.19 7.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 0.799 . . . . 0.0 110.346 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 28' ' ' GLU . 8.7 mp0 -121.4 179.8 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.073 HG22 ' HB3' ' A' ' 3' ' ' ALA . 2.4 t -139.09 160.11 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 2.1 ttmt -129.71 152.12 49.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.571 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 11.1 m-90 -123.11 154.69 38.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 108.038 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.8 t -138.54 114.87 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.663 ' ND2' ' HB1' ' A' ' 62' ' ' ALA . 32.0 t30 -87.03 135.74 33.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -111.09 -87.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.244 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.529 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.3 mttt -131.43 179.47 6.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 109.238 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.59 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.8 OUTLIER 76.2 54.07 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.516 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -94.78 161.17 29.53 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 110.007 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.516 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.96 156.81 99.89 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 120.97 -2.513 . . . . 0.0 111.066 -0.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.821 ' H ' ' HB3' ' A' ' 62' ' ' ALA . 0.3 OUTLIER -136.81 99.65 4.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.669 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -94.96 175.94 6.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.69 HG22 ' CE1' ' A' ' 43' ' ' PHE . 3.0 mt -134.6 98.49 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.246 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.423 HG13 ' CG ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -108.37 127.1 64.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 0.0 109.291 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.69 ' CE1' HG22 ' A' ' 41' ' ' ILE . 2.2 m-85 -98.04 113.02 24.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.483 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -92.38 109.44 20.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.2 96.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 44' ' ' ALA . 27.4 t70 -122.49 80.44 1.73 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.83 -33.68 5.63 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.583 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -91.37 179.41 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.265 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.443 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -77.29 138.03 39.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.411 1.069 . . . . 0.0 109.311 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' ASP . . . -51.91 -67.77 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.868 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -40.33 -53.69 2.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.771 HG22 ' HE2' ' A' ' 79' ' ' TYR . 2.0 m -49.81 -68.35 0.18 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.49 1.119 . . . . 0.0 110.37 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.539 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -51.91 -23.33 4.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.868 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -63.21 -37.72 88.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.13 -33.17 56.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.67 HD21 ' O ' ' A' ' 72' ' ' THR . 6.8 mp -85.2 -1.21 56.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.385 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.57 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -84.32 117.02 23.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.984 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.505 ' O ' ' CG ' ' A' ' 59' ' ' LYS . 1.1 m-70 -94.55 166.39 12.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.565 1.166 . . . . 0.0 109.632 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -173.04 63.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -118.3 129.69 8.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.715 HD11 ' CD1' ' A' ' 63' ' ' PHE . 1.8 tm? -58.61 134.51 56.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.821 ' HB3' ' H ' ' A' ' 39' ' ' HIS . . . -110.97 99.2 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.715 ' CD1' HD11 ' A' ' 61' ' ' LEU . 1.4 m-85 -145.58 28.6 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 0.0 111.099 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 66' ' ' GLY . . . -142.46 119.79 11.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.38 77.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 153.29 44.35 0.02 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.71 135.61 50.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 0.772 . . . . 0.0 110.272 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.4 m -143.72 122.76 12.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.987 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.421 ' HB3' ' NE2' ' A' ' 58' ' ' HIS . 14.2 m-85 -98.3 174.26 6.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 111.022 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.505 ' H ' ' HE2' ' A' ' 58' ' ' HIS . 12.6 m -143.57 151.15 39.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.366 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.7 t -138.23 158.89 43.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.67 ' O ' HD21 ' A' ' 56' ' ' LEU . 5.6 m -105.19 111.78 24.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.693 ' CE2' HG13 ' A' ' 95' ' ' VAL . 3.8 m-30 -102.65 62.12 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.584 HG23 HG22 ' A' ' 72' ' ' THR . 1.3 p -82.07 -62.57 1.59 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.419 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.1 126.42 92.74 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.355 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.94 111.25 3.28 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.449 1.763 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -165.36 -145.71 4.52 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.7 m -143.22 113.95 7.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 110.373 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.771 ' HE2' HG22 ' A' ' 52' ' ' THR . 80.8 m-85 -104.1 108.23 19.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 21.7 m -85.64 103.4 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.419 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.43 ' CE2' ' CD1' ' A' ' 16' ' ' PHE . 27.0 p90 -112.74 149.47 32.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 111.05 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.585 ' HB3' HG13 ' A' ' 92' ' ' VAL . 0.3 OUTLIER -144.19 -179.67 6.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.964 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.516 ' SG ' ' CZ ' ' A' ' 16' ' ' PHE . 3.7 m -79.48 142.93 35.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 108.312 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.528 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -76.13 -50.12 3.06 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.566 1.166 . . . . 0.0 110.295 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -75.0 0.25 9.14 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.507 ' CE1' ' HG2' ' A' ' 85' ' ' PRO . 0.8 OUTLIER -143.23 49.23 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.624 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.3 ptt85 -95.33 52.99 1.45 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.082 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 161.85 51.62 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.483 1.115 . . . . 0.0 111.051 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.89 -46.8 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.761 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 142.33 45.12 0.05 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.12 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.57 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 6.2 ttt -140.9 99.41 3.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.585 HG13 ' HB3' ' A' ' 82' ' ' TYR . 30.2 t -145.81 159.25 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -116.89 178.2 17.07 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.502 1.126 . . . . 0.0 110.934 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -145.35 99.14 3.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.254 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.693 HG13 ' CE2' ' A' ' 73' ' ' PHE . 5.0 t -79.03 147.9 6.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.461 HG12 HG23 ' A' ' 22' ' ' THR . 8.4 t -144.04 123.29 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.62 HG22 ' CD2' ' A' ' 73' ' ' PHE . 41.6 t -120.82 137.19 55.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.77 170.19 13.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 1.053 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -75.21 124.7 27.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 92.0 m -97.23 118.41 33.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.6 t -136.93 159.4 36.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.357 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -138.55 162.62 34.1 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.477 ' O ' ' HE3' ' A' ' 91' ' ' MET . 9.4 ptp -91.39 -29.07 17.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -133.71 -179.28 16.23 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 m -107.26 144.08 34.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.767 . . . . 0.0 109.976 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -76.31 57.54 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.588 1.18 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.04 -75.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.99 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.06 44.0 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.11 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.92 123.83 12.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.728 HD12 ' SD ' ' A' ' 91' ' ' MET . 1.4 pp -79.76 99.52 7.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.398 1.061 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.7 m -145.29 167.03 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.429 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 33.0 m-85 -107.73 114.11 27.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 11.0 tt0 -145.37 129.57 8.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.363 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.606 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.06 129.1 17.77 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.005 0.068 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.476 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 60.4 p -55.52 -39.14 70.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.016 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.1 m -123.05 133.48 54.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.409 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.606 HG12 ' HG2' ' A' ' 18' ' ' PRO . 3.1 m -135.69 153.7 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.4 m -133.87 102.06 5.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.442 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 1.001 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.1 pt -111.19 -179.62 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.534 ' O ' HD12 ' A' ' 23' ' ' ILE . 15.7 mttt -81.01 178.46 8.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.678 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -98.04 88.99 4.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 146.52 -16.8 1.65 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.98 -179.76 4.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.753 . . . . 0.0 110.331 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -124.88 171.9 9.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.226 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.053 HG22 ' HB3' ' A' ' 3' ' ' ALA . 4.4 t -130.09 149.37 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -123.42 139.88 53.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -119.4 119.66 34.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 0.0 107.988 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.0 t -87.94 141.94 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -77.44 136.34 38.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -134.6 -179.0 5.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 177.89 6.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER 78.67 47.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.944 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.545 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -89.31 162.66 36.48 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.545 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.92 164.56 88.07 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.049 -0.111 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.701 ' H ' ' HB3' ' A' ' 62' ' ' ALA . 0.6 OUTLIER -139.84 99.93 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.179 . . . . 0.0 109.522 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -88.45 178.41 6.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.731 HG21 ' NE2' ' A' ' 58' ' ' HIS . 95.3 mt -144.01 101.03 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.741 HG13 ' HG2' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -114.5 120.91 65.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 109.324 179.947 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.584 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -94.59 100.73 12.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.542 1.151 . . . . 0.0 110.986 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.85 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -76.21 106.29 7.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.422 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -50.1 95.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.8 OUTLIER -111.22 76.19 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.27 -25.45 12.49 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.813 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 1.3 p -94.49 175.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 0.776 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.509 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -74.74 131.69 41.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.58 -46.3 70.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.18 . . . . 0.0 109.378 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.835 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 1.0 OUTLIER -49.68 -54.98 15.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.26 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.642 HG21 ' OH ' ' A' ' 79' ' ' TYR . 27.2 m -55.46 -66.47 0.41 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.443 1.089 . . . . 0.0 110.393 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -42.9 -28.6 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.835 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -61.96 -70.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.14 -29.88 58.65 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.821 HD12 ' CE1' ' A' ' 79' ' ' TYR . 6.3 mt -73.45 -32.05 64.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 53' ' ' ALA . 97.4 p -76.81 144.83 38.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.731 ' NE2' HG21 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -137.03 99.42 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.591 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.741 ' HG2' HG13 ' A' ' 42' ' ' VAL . 16.8 mttt -85.3 56.09 3.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -88.53 151.07 22.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -86.27 135.85 33.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 109.389 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.701 ' HB3' ' H ' ' A' ' 39' ' ' HIS . . . -109.78 112.48 24.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -140.15 -46.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.1 117.65 25.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.63 109.86 6.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.8 -20.53 2.17 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.552 1.157 . . . . 0.0 111.047 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -83.52 115.38 22.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 0.804 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.9 m -108.39 155.51 20.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 110.051 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -107.58 170.03 8.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.045 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 28.8 m -142.91 152.6 42.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.443 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.466 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 35.5 p -143.19 161.48 38.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.579 ' O ' HD21 ' A' ' 56' ' ' LEU . 22.4 m -115.72 110.47 19.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.44 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.715 ' CB ' HD11 ' A' ' 23' ' ' ILE . 5.6 m-30 -93.83 49.75 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 m -70.59 -55.9 7.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 110.465 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.56 123.15 88.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.265 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 128.17 11.28 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.547 1.814 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -177.1 -150.86 8.62 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.499 1.124 . . . . 0.0 111.079 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 m -137.92 92.48 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 0.743 . . . . 0.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.821 ' CE1' HD12 ' A' ' 56' ' ' LEU . 88.3 m-85 -90.85 135.42 33.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 45.7 m -118.52 109.66 16.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.575 ' HB3' ' CD1' ' A' ' 43' ' ' PHE . 38.4 p90 -108.82 137.97 45.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.85 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -145.01 -179.67 6.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -79.31 136.67 37.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.081 . . . . 0.0 108.34 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.483 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -65.1 -52.6 47.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -74.89 -42.23 0.57 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.491 1.785 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.548 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . 2.6 m170 -100.46 49.02 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.626 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -46.09 85.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.28 50.53 0.78 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.548 ' HB3' ' HB3' ' A' ' 86' ' ' HIS . . . -129.88 53.18 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 43.33 42.92 5.78 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.728 ' SD ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -138.87 98.52 3.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 0.774 . . . . 0.0 111.048 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.554 HG12 ' N ' ' A' ' 93' ' ' GLY . 92.9 t -146.54 168.22 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.554 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -141.87 124.03 2.37 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.395 1.059 . . . . 0.0 111.107 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.19 119.82 40.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.626 HG11 ' CE2' ' A' ' 73' ' ' PHE . 3.3 t -107.7 138.86 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.414 1.071 . . . . 0.0 109.386 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.2 t -131.14 112.16 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 45.8 t -103.72 138.79 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.678 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 30.5 m-20 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -145.36 -179.77 6.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.988 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -132.94 145.02 50.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 83.3 m -145.13 129.56 17.86 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.84 HG11 ' OH ' ' A' ' 81' ' ' TYR . 71.2 t -129.98 124.39 58.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.33 145.94 35.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.41 ' SD ' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -49.75 -58.83 4.56 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.43 1.081 . . . . 0.0 110.983 -179.967 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -130.14 -102.86 1.0 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.445 ' C ' ' ND2' ' A' ' 34' ' ' ASN . 89.4 p -152.52 156.74 39.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 110.021 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -86.35 69.45 10.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.0 t -162.27 -77.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.929 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.24 39.11 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.69 140.19 36.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.77 . . . . 0.0 109.269 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.796 HD23 ' HG ' ' A' ' 36' ' ' LEU . 1.6 pp -96.04 100.2 11.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.7 m -144.88 132.02 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.555 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 45.6 m-85 -77.67 112.98 15.05 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.45 1.094 . . . . 0.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -142.89 133.2 12.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.962 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.742 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -74.99 132.58 28.03 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.96 0.001 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.435 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 80.0 p -48.62 -36.79 16.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.967 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.4 m -128.51 135.4 49.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.399 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.742 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -138.25 161.53 31.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.9 m -128.42 106.82 9.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.349 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.69 HD13 HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -110.49 145.32 17.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.337 179.931 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.489 ' O ' ' CD1' ' A' ' 23' ' ' ILE . 3.4 mtpp -73.59 169.49 17.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.83 141.63 40.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.48 -9.09 59.67 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.544 1.152 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -80.99 169.39 17.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 110.303 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.452 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 21.8 pm0 -119.62 164.96 15.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.988 HG22 ' HB3' ' A' ' 3' ' ' ALA . 45.9 t -132.91 131.19 59.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.153 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.427 ' HG2' ' N ' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -105.53 145.1 31.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.279 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.472 ' HZ3' ' HG ' ' A' ' 71' ' ' SER . 3.8 m-90 -122.4 116.45 24.03 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.8 t -84.96 148.26 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.363 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -74.9 158.06 34.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.445 ' ND2' ' C ' ' A' ' 9' ' ' SER . 4.2 m120 -150.46 -174.27 4.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -179.2 4.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.796 ' HG ' HD23 ' A' ' 14' ' ' LEU . 3.2 mm? 66.35 28.71 9.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.374 -179.906 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.515 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -75.12 161.82 75.71 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.53 1.144 . . . . 0.0 109.97 -179.911 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.515 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.01 162.71 92.31 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.04 -2.483 . . . . 0.0 110.961 -0.006 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -130.58 101.23 5.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.564 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 59' ' ' LYS . 3.2 m120 -78.96 168.54 19.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.372 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.41 HD11 ' SD ' ' A' ' 7' ' ' MET . 96.8 mt -142.42 99.38 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.405 HG21 ' HG3' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -115.17 127.32 72.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.595 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -100.95 98.92 9.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.988 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.816 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -74.03 119.07 17.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.57 95.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.405 1.065 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.621 ' O ' HG23 ' A' ' 78' ' ' THR . 0.5 OUTLIER -121.98 87.17 2.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.14 -24.46 32.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.577 1.173 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.514 HG13 ' N ' ' A' ' 49' ' ' ASP . 0.3 OUTLIER -102.25 -179.94 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 109.234 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.514 ' N ' HG13 ' A' ' 48' ' ' VAL . 2.0 m-20 -74.79 169.59 17.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.405 1.066 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -78.04 -65.46 0.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.211 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -49.32 -36.18 20.39 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.496 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 15.7 m -64.62 -38.26 90.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.357 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.91 -8.09 52.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -69.64 -46.3 66.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.415 1.072 . . . . 0.0 109.375 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.33 -51.01 7.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.998 HD21 ' O ' ' A' ' 72' ' ' THR . 0.3 OUTLIER -49.45 -24.56 2.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.412 ' CB ' ' H ' ' A' ' 43' ' ' PHE . 32.0 p -81.83 154.89 25.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -121.19 178.19 4.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.555 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.445 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -151.74 -49.41 0.11 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 179.91 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -40.08 139.49 1.11 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.49 1.119 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.594 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -109.9 128.01 55.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 0.805 . . . . 0.0 109.324 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.436 ' C ' ' CD1' ' A' ' 63' ' ' PHE . . . -95.36 157.31 15.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.393 1.058 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.436 ' CD1' ' C ' ' A' ' 62' ' ' ALA . 2.3 m-85 -136.59 -43.61 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.53 142.09 44.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.243 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.12 61.46 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.59 1.181 . . . . 0.0 109.259 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -178.06 35.38 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -135.97 100.17 4.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.595 0.82 . . . . 0.0 110.298 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 24.0 p -113.36 147.98 36.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.96 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -93.18 176.14 6.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 m -144.62 143.1 30.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 110.366 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.472 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 43.9 p -143.73 154.66 43.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.998 ' O ' HD21 ' A' ' 56' ' ' LEU . 2.3 m -132.0 126.05 33.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 110.419 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.869 ' CD2' HG21 ' A' ' 97' ' ' VAL . 2.8 m-85 -98.12 67.86 1.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 -179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 m -50.11 -36.81 31.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.366 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.416 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 3.9 mt-10 -109.05 135.08 20.21 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 18.2 Cg_endo -75.07 121.68 6.7 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 110.937 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -159.6 -142.51 3.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 78' ' ' THR . 8.7 t -145.15 94.85 2.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 110.442 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.764 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 58.0 m-85 -87.66 132.23 34.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 111.019 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.4 m -119.87 114.58 22.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.429 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.84 ' OH ' HG11 ' A' ' 5' ' ' VAL . 27.3 p90 -117.42 145.5 44.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.036 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.816 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -144.95 -179.76 6.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.78 119.66 22.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 108.214 -179.889 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.507 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -49.2 -51.09 59.86 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -75.01 -49.17 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.801 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -90.96 46.17 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.58 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -62.94 -59.06 5.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.57 64.5 0.27 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.0 -49.64 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.615 0.832 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 153.21 43.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.606 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -145.67 99.2 3.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 110.991 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.535 HG12 ' N ' ' A' ' 93' ' ' GLY . 57.9 t -143.62 167.98 12.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.535 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -149.8 164.32 29.51 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.473 1.108 . . . . 0.0 111.069 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -142.79 149.08 38.19 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.582 0.813 . . . . 0.0 109.295 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.585 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 59.2 t -135.14 126.5 46.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.7 t -109.72 130.14 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.075 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.869 HG21 ' CD2' ' A' ' 73' ' ' PHE . 98.1 t -127.26 147.02 32.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.375 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 -179.969 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.423 ' N ' ' HD2' ' A' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -84.81 134.82 34.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.871 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -118.28 152.58 35.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.2 m -135.72 142.43 45.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.59 1.181 . . . . 0.0 110.384 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.489 HG22 HG11 ' A' ' 21' ' ' VAL . 22.1 t -144.67 136.35 21.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 7' ' ' MET . 10.3 mttt -123.54 104.25 8.93 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.443 1.089 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.42 ' O ' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -45.78 174.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 37.38 -136.47 0.73 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.65 154.88 21.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.752 . . . . 0.0 109.986 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.1 67.41 6.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 t -165.06 -69.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.97 40.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.3 129.25 17.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.782 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 pp -90.91 99.11 12.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.6 m -144.05 160.58 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.564 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 22.4 m-85 -95.85 119.1 33.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 9.7 tm-20 -145.36 126.81 7.67 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.56 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -74.96 132.71 28.46 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.043 -2.482 . . . . 0.0 111.021 -0.073 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 98.2 p -56.85 -28.95 62.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.4 m -128.39 124.66 36.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.383 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.56 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -141.81 137.65 31.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 9.6 t -139.86 139.45 36.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 0.0 110.423 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.842 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 4.1 pt -134.04 -177.39 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.223 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 1' ' ' ALA . 14.6 mttm -73.24 -179.87 3.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.629 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -100.08 106.85 18.63 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.04 -10.35 7.0 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.577 1.173 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.7 ' HB3' HD12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -86.11 -179.41 6.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 0.731 . . . . 0.0 110.335 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -123.91 179.27 4.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.248 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.871 HG22 ' HB3' ' A' ' 3' ' ' ALA . 44.8 t -144.72 148.18 18.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -121.76 153.66 37.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.481 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 1.9 m-90 -123.92 164.62 18.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 108.034 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.415 ' O ' ' SD ' ' A' ' 7' ' ' MET . 92.7 t -135.84 134.81 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.377 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -74.24 130.57 39.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -119.33 -170.31 1.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.84 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -78.75 177.1 8.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.84 HD12 ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER 72.6 66.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.539 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -98.04 162.78 21.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 0.0 110.03 179.946 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.589 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.2 Cg_endo -74.94 161.25 95.19 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 121.044 -2.482 . . . . 0.0 111.025 -0.053 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -141.09 107.16 5.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.635 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.654 ' HB3' HD13 ' A' ' 61' ' ' LEU . 11.5 p-10 -112.47 162.84 15.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 0.0 109.354 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.467 ' CD1' ' CD1' ' A' ' 31' ' ' TRP . 63.3 mt -125.04 98.54 5.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.505 ' CG1' ' HG3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -109.87 122.96 65.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.727 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 0.5 OUTLIER -97.12 101.1 12.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 110.975 -179.952 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.853 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -77.39 108.68 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.487 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -41.16 96.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 44' ' ' ALA . 54.6 t0 -119.31 74.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.58 -32.15 6.21 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.665 HG22 ' H ' ' A' ' 49' ' ' ASP . 3.9 p -89.64 179.53 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.547 0.793 . . . . 0.0 109.261 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.665 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -74.65 158.46 33.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -70.86 -70.08 0.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.105 . . . . 0.0 109.25 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.84 -34.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.531 HG22 ' HE2' ' A' ' 79' ' ' TYR . 9.2 m -69.0 -51.65 37.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.487 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -73.29 -9.62 58.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -74.18 -44.06 54.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.58 -53.98 5.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.851 HD11 ' O ' ' A' ' 72' ' ' THR . 0.1 OUTLIER -48.14 -30.03 4.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.8 p -74.86 156.92 35.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.069 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.494 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 73.1 m-70 -128.44 107.54 9.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.62 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.505 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -111.44 39.5 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -97.28 -29.72 7.77 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.436 1.085 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.654 HD13 ' HB3' ' A' ' 40' ' ' ASN . 3.3 mm? 67.92 114.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.498 ' HB2' ' HZ ' ' A' ' 69' ' ' PHE . . . -100.49 129.33 46.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.589 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 12.0 m-30 -123.22 -38.76 2.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.5 138.5 41.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.54 89.55 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.94 48.77 0.04 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.437 1.086 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.39 101.13 6.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 m -97.43 153.08 18.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.923 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.498 ' HZ ' ' HB2' ' A' ' 62' ' ' ALA . 21.5 m-30 -126.06 167.65 15.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.5 m -135.21 151.12 50.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.0 p -142.14 147.03 36.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.03 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.851 ' O ' HD11 ' A' ' 56' ' ' LEU . 48.8 m -98.91 120.34 39.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.402 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.853 ' CZ ' HG11 ' A' ' 95' ' ' VAL . 3.5 m-30 -107.52 57.98 0.62 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.581 HG23 HG22 ' A' ' 72' ' ' THR . 1.2 p -79.2 -66.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.443 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 0.6 OUTLIER -68.22 127.73 93.25 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.36 179.954 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 18.6 Cg_endo -74.96 107.79 2.56 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.493 1.786 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -151.69 -148.13 4.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.8 m -143.59 104.47 4.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 0.808 . . . . 0.0 110.358 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.667 ' CE2' HD13 ' A' ' 56' ' ' LEU . 44.9 m-85 -94.29 133.41 37.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 111.057 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 36.9 m -115.09 116.73 28.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.394 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.578 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 27.7 p90 -118.2 137.2 53.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.587 1.18 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.853 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -142.21 179.62 6.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 111.04 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 87' ' ' ARG . 0.8 OUTLIER -92.14 126.02 37.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 108.333 179.945 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.473 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 1.6 mt-10 -38.81 -52.95 3.58 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.02 -55.66 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -87.09 49.69 1.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.667 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.422 ' HG3' ' CD1' ' A' ' 82' ' ' TYR . 3.4 ttt180 -80.54 -53.58 6.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.86 33.78 5.44 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.447 1.092 . . . . 0.0 110.948 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -98.27 -28.23 13.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.583 0.813 . . . . 0.0 109.348 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 140.36 -25.07 2.63 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.564 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -83.99 99.39 10.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 0.778 . . . . 0.0 111.02 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.544 HG12 ' N ' ' A' ' 93' ' ' GLY . 87.1 t -145.74 168.39 7.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.544 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -136.99 162.59 25.28 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.42 130.6 42.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 0.783 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.853 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 69.0 t -115.31 142.17 29.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.403 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 22' ' ' THR . 7.5 t -134.87 142.14 41.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.832 HG22 ' CD2' ' A' ' 73' ' ' PHE . 77.3 t -128.6 141.71 45.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.629 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 5.1 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.497 ' O ' ' CG2' ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -75.37 119.28 19.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 0.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.738 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -100.32 165.64 11.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.303 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.8 m -145.23 135.76 24.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 110.406 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.856 HG22 ' HD2' ' A' ' 18' ' ' PRO . 86.7 t -136.23 146.09 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -102.94 156.07 17.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' VAL . 4.6 mtm -103.94 60.36 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.65 -137.68 7.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.5 p -151.97 137.19 17.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 110.011 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -76.86 65.25 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.96 -70.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.82 42.98 0.03 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.32 169.37 17.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.445 HD12 ' HG2' ' A' ' 91' ' ' MET . 1.9 pp -122.23 99.65 6.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 m -145.5 146.97 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.152 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -94.1 111.08 22.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.494 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -141.13 134.87 14.8 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.343 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.856 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.3 Cg_endo -74.98 133.05 29.65 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.05 -0.027 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.43 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 89.3 p -58.07 -36.89 73.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.0 m -117.92 125.04 49.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.652 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.4 m -138.09 131.05 40.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.6 t -129.25 126.7 39.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.433 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.669 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 1.2 pt -128.79 -178.27 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -73.97 176.73 6.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.237 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.796 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -94.72 125.93 39.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 106.41 -18.06 39.14 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -78.58 171.71 14.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 110.275 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.2 pm0 -117.3 175.59 5.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 110.267 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.819 HG21 ' CE2' ' A' ' 73' ' ' PHE . 24.1 t -139.1 145.14 27.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 109.239 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.66 152.72 24.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.4 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 5.8 m-90 -124.11 165.22 17.9 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 7' ' ' MET . 55.9 t -141.78 133.49 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -74.92 164.22 26.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -154.61 -168.34 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -82.72 -178.62 7.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.227 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.605 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 2.8 mm? 69.13 64.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.6 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -92.5 164.82 21.14 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.027 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.61 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.5 Cg_endo -74.98 162.37 92.98 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.072 -2.47 . . . . 0.0 111.031 0.017 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 1.5 m-70 -145.81 104.58 3.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.559 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -116.81 179.43 4.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.885 HD13 ' CE1' ' A' ' 58' ' ' HIS . 5.3 mt -129.5 102.12 7.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.934 HG13 ' HG2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -117.11 119.34 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.649 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -97.48 98.77 10.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 0.0 111.033 179.957 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.768 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -75.93 116.06 16.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.74 95.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.343 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.4 m-20 -120.9 73.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.67 -19.52 23.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.433 1.083 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.512 HG22 HG21 ' A' ' 52' ' ' THR . 0.4 OUTLIER -107.14 176.18 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.559 0.799 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.429 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -75.29 148.96 38.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.86 -38.88 87.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.36 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.35 -58.53 6.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.578 HG23 ' OH ' ' A' ' 79' ' ' TYR . 1.1 t -56.5 -21.77 28.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.81 -24.37 19.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.9 -47.1 86.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -44.69 34.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.785 HD13 ' OG ' ' A' ' 71' ' ' SER . 1.6 mm? -58.24 -26.45 62.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.3 p -84.38 130.51 34.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.069 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.885 ' CE1' HD13 ' A' ' 41' ' ' ILE . 6.8 p80 -133.66 100.36 4.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 109.591 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.934 ' HG2' HG13 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -71.65 -68.35 0.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.474 ' HA3' ' CZ ' ' A' ' 69' ' ' PHE . . . 35.31 91.52 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.516 1.135 . . . . 0.0 111.05 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.765 HD12 ' HZ ' ' A' ' 63' ' ' PHE . 4.4 mm? -64.09 92.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.756 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.446 ' O ' ' CD1' ' A' ' 63' ' ' PHE . . . -99.54 128.45 45.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.765 ' HZ ' HD12 ' A' ' 61' ' ' LEU . 12.9 m-85 -138.08 40.0 2.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.77 162.79 29.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.45 74.69 6.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 156.08 44.57 0.02 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.79 130.43 55.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.8 m -140.34 130.09 24.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.038 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.474 ' CZ ' ' HA3' ' A' ' 60' ' ' GLY . 15.4 m-85 -107.98 174.76 5.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 3.8 m -139.17 156.3 47.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.404 -179.938 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.785 ' OG ' HD13 ' A' ' 56' ' ' LEU . 17.6 t -141.47 152.36 44.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.947 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.776 ' O ' HD11 ' A' ' 56' ' ' LEU . 2.3 m -102.14 104.0 14.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.819 ' CE2' HG21 ' A' ' 29' ' ' VAL . 5.4 m-30 -94.0 60.78 2.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.554 HG23 ' CG2' ' A' ' 72' ' ' THR . 3.2 p -81.43 -70.27 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.432 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.97 125.15 68.83 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 100.96 1.41 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.452 1.764 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -149.02 -146.51 4.34 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.6 m -145.72 91.96 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 110.384 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.649 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 72.8 m-85 -82.5 141.32 32.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 43.7 m -124.14 112.9 17.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.385 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.67 ' OH ' HG11 ' A' ' 5' ' ' VAL . 29.8 p90 -115.89 126.66 54.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.768 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -126.47 179.89 5.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.63 146.04 27.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 108.309 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.532 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 1.8 mt-10 -69.3 -49.46 23.4 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.98 -43.23 0.41 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.582 1.833 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.422 ' CE1' ' HG2' ' A' ' 85' ' ' PRO . 1.4 m80 -96.65 37.14 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.627 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.8 114.85 7.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 69.92 19.25 75.14 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -81.89 -29.45 32.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 0.732 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 151.1 -48.92 0.55 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.445 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -76.01 103.04 5.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 111.015 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.517 HG22 ' N ' ' A' ' 93' ' ' GLY . 2.3 p -146.43 166.66 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.517 ' N ' HG22 ' A' ' 92' ' ' VAL . . . -131.21 157.08 22.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.553 1.158 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -137.9 107.98 6.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.59 0.818 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.484 HG11 ' CE2' ' A' ' 73' ' ' PHE . 25.3 t -80.56 153.92 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.7 t -143.57 100.51 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.172 . . . . 0.0 109.244 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.445 HG22 ' HB3' ' A' ' 73' ' ' PHE . 87.0 t -92.3 141.84 13.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.796 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 22.8 t70 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 74.8 m-80 -144.99 175.19 10.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.611 ' HB3' HG21 ' A' ' 23' ' ' ILE . . . -102.76 100.29 10.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.375 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.4 HG23 ' HB3' ' A' ' 30' ' ' LYS . 18.7 m -91.34 158.17 16.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.483 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.561 HG22 ' HD2' ' A' ' 18' ' ' PRO . 2.9 t -143.48 120.99 6.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.551 ' HE2' HG21 ' A' ' 32' ' ' VAL . 6.7 mttt -96.48 135.53 38.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.415 ' O ' ' C ' ' A' ' 8' ' ' GLY . 39.1 mtm -101.96 177.75 4.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 111.112 179.917 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 7' ' ' MET . . . 36.77 92.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 8' ' ' GLY . 87.2 p -38.27 144.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 110.056 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -73.78 58.77 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 t -147.04 -61.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.991 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.88 42.85 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.24 141.75 28.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.425 HD23 ' H ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -90.61 98.47 11.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.7 m -147.39 142.21 19.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.225 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.607 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 96.6 m-85 -87.19 123.01 31.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HA ' ' N ' ' A' ' 19' ' ' SER . 2.7 tm-20 -145.25 128.4 8.37 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.508 1.13 . . . . 0.0 110.351 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.561 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.2 Cg_endo -75.05 129.88 19.83 Favored 'Cis proline' 0 C--N 1.361 1.225 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.022 0.028 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.447 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 1.7 p -55.9 -39.66 71.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.993 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.9 m -117.8 130.02 56.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.396 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.514 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -144.04 136.02 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.1 m -114.29 102.57 10.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.611 HG21 ' HB3' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -107.8 170.57 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.227 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.53 173.99 10.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.33 145.51 25.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.2 -15.97 46.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.28 -179.83 4.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.482 ' OE2' HG23 ' A' ' 70' ' ' THR . 2.9 pt-20 -118.72 171.01 8.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.153 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.747 HG12 ' CZ3' ' A' ' 31' ' ' TRP . 25.2 t -138.65 121.75 19.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.4 ' HB3' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -92.68 153.01 19.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.747 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 1.6 m-90 -128.19 116.71 20.32 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.551 HG21 ' HE2' ' A' ' 6' ' ' LYS . 75.8 t -90.03 124.54 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.515 ' ND2' ' HB1' ' A' ' 62' ' ' ALA . 48.7 t30 -78.82 150.29 32.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -144.73 -152.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.44 ' HB3' HD22 ' A' ' 36' ' ' LEU . 5.7 mmtm -74.75 -179.28 4.07 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.56 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.4 mm? 68.06 46.35 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 179.927 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.519 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -92.49 161.96 30.99 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.464 1.103 . . . . 0.0 109.996 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.519 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.93 158.26 99.09 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.022 -0.08 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -129.92 100.02 5.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.605 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -88.37 177.43 6.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.527 HD13 ' CD1' ' A' ' 31' ' ' TRP . 5.7 mt -145.15 99.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.245 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.479 HG13 ' HG2' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -115.61 120.83 65.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.61 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -92.56 99.93 12.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 111.03 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.959 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -75.74 114.17 14.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.426 ' HB2' ' HA ' ' A' ' 50' ' ' ALA . . . -46.78 95.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 44' ' ' ALA . 7.3 m-20 -118.67 81.23 1.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.66 -34.91 5.34 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.659 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -89.75 -179.83 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.472 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -74.94 147.95 40.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.426 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . . . -62.67 -69.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.632 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 48.6 m-20 -40.55 -38.16 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.759 HG22 ' HE2' ' A' ' 79' ' ' TYR . 3.1 m -62.53 -68.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.411 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -51.78 -22.25 3.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -64.06 -50.88 66.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 179.907 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -63.73 -35.95 82.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.489 HD11 ' O ' ' A' ' 72' ' ' THR . 6.4 mp -77.86 -19.65 54.44 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 -179.926 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 53' ' ' ALA . 4.2 m -74.84 126.16 30.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.026 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.566 ' CE1' ' O ' ' A' ' 70' ' ' THR . 89.6 m-70 -107.88 101.38 10.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.479 ' HG2' HG13 ' A' ' 42' ' ' VAL . 9.7 mttt -97.24 31.29 2.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -84.12 -148.79 9.22 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.827 HD13 ' H ' ' A' ' 62' ' ' ALA . 0.2 OUTLIER -143.3 164.97 28.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 0.792 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.827 ' H ' HD13 ' A' ' 61' ' ' LEU . . . -137.53 98.67 3.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.68 ' CD1' ' CD1' ' A' ' 61' ' ' LEU . 2.1 m-85 -132.08 33.32 3.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.092 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.9 139.9 27.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.43 88.13 6.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.82 -19.47 1.12 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.593 1.183 . . . . 0.0 111.033 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.44 156.27 35.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.771 . . . . 0.0 110.289 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 35.8 m -145.46 -179.64 6.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.419 1.074 . . . . 0.0 109.965 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.582 ' CD1' ' N ' ' A' ' 69' ' ' PHE . 0.2 OUTLIER -130.86 134.82 47.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.566 ' O ' ' CE1' ' A' ' 58' ' ' HIS . 2.3 m -112.29 145.67 39.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.447 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.6 p -132.1 159.86 37.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.075 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.489 ' O ' HD11 ' A' ' 56' ' ' LEU . 27.5 m -110.7 114.59 28.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.999 ' CZ ' HG11 ' A' ' 95' ' ' VAL . 6.1 m-30 -93.8 43.36 1.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 m -50.62 -67.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.373 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.19 128.18 63.42 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 147.84 34.3 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 171.38 -150.19 13.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.543 1.152 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 m -132.4 93.84 3.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 110.41 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.759 ' HE2' HG22 ' A' ' 52' ' ' THR . 87.3 m-85 -91.23 137.03 32.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.2 m -114.84 115.39 26.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.386 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.753 ' CE1' HG23 ' A' ' 95' ' ' VAL . 33.1 p90 -114.69 139.45 49.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.959 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -144.51 179.82 7.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 111.023 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 1.22 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 12.7 m -78.75 131.68 36.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.328 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.552 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -61.82 -48.85 88.28 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.28 -179.968 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.97 -43.63 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.793 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -93.29 42.22 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.6 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -83.65 50.03 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 155.68 56.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.108 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.44 -49.81 0.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 0.766 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 149.83 43.91 0.03 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 1.22 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.2 OUTLIER -145.42 99.65 3.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.737 . . . . 0.0 110.958 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.545 HG12 ' N ' ' A' ' 93' ' ' GLY . 58.1 t -146.9 168.94 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.545 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -135.43 172.75 22.02 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.16 116.21 8.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 0.812 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.999 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 77.4 t -104.03 138.83 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.3 t -130.87 112.98 23.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.792 HG22 ' CD2' ' A' ' 73' ' ' PHE . 99.3 t -90.21 143.42 11.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -75.6 174.11 10.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.736 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . -124.09 158.58 31.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.3 m -133.59 141.27 47.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.389 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.569 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 9.1 t -139.57 148.33 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 8' ' ' GLY . 12.4 mttt -128.33 121.98 30.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.42 61.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 111.044 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 6' ' ' LYS . . . 126.46 -164.35 20.06 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.14 162.71 20.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 0.767 . . . . 0.0 109.958 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -90.56 38.87 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.32 -74.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.08 . . . . 0.0 109.993 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.92 43.77 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.46 100.98 4.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.754 HD11 ' CE1' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -74.68 100.08 3.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 m -145.19 173.22 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.456 ' CE2' ' HE2' ' A' ' 91' ' ' MET . 1.9 m-85 -108.27 106.45 16.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.507 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -141.5 133.84 13.93 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.391 1.057 . . . . 0.0 110.298 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.846 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.06 134.4 35.74 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.958 -2.518 . . . . 0.0 110.995 0.043 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.407 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 1.7 t -61.72 -22.41 65.34 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.486 1.116 . . . . 0.0 110.069 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -140.19 118.98 12.45 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.846 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.1 m -118.15 149.72 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.9 m -136.1 126.72 27.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.736 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 1.1 pp -142.35 179.97 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.676 ' O ' HD12 ' A' ' 23' ' ' ILE . 22.7 mmtt -77.92 177.68 8.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.432 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -98.55 91.76 5.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.58 1.175 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.06 -18.23 2.14 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.482 1.113 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.516 ' HB3' HD13 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -75.04 171.32 14.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 0.734 . . . . 0.0 110.226 -179.943 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 29' ' ' VAL . 0.7 OUTLIER -118.82 142.16 47.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.327 179.975 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.658 HG21 ' CE2' ' A' ' 73' ' ' PHE . 80.5 t -109.1 144.3 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 13.9 ttpt -115.63 152.96 32.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.377 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.569 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 7.1 m-90 -120.57 169.55 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.9 t -135.32 126.39 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.253 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -74.34 152.49 39.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -136.07 -156.02 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -103.3 -179.17 3.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.353 179.947 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.453 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 1.2 mp 76.57 40.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.612 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -68.18 165.91 29.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.947 -179.98 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.612 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.98 160.09 97.06 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.968 -0.036 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.754 ' CE1' HD11 ' A' ' 14' ' ' LEU . 13.0 m-70 -145.83 122.99 11.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.62 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.464 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 4.9 p-10 -136.84 161.35 36.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.731 HG22 ' CE1' ' A' ' 43' ' ' PHE . 3.6 mt -116.86 98.75 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.922 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -101.63 130.6 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.731 ' CE1' HG22 ' A' ' 41' ' ' ILE . 2.2 m-85 -97.45 101.94 13.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.687 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -81.32 103.26 10.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' ALA . . . -39.72 97.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' ALA . 10.3 m-20 -125.45 77.02 1.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 117.4 -32.93 5.2 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.624 HG13 ' N ' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -92.67 -178.74 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.261 -179.951 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.624 ' N ' HG13 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -74.31 169.57 17.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.44 -70.54 0.44 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.62 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -47.2 -37.71 10.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.509 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 3.4 m -59.29 -60.46 3.83 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.481 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . . . -63.82 -20.63 65.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -61.45 -54.35 44.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -65.38 -37.1 85.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.889 HD11 ' O ' ' A' ' 72' ' ' THR . 0.3 OUTLIER -77.96 -7.17 56.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.563 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -85.48 115.94 23.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.919 -179.914 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.732 ' CE1' ' CD1' ' A' ' 69' ' ' PHE . 4.3 m-70 -91.16 98.66 11.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.619 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -103.19 27.17 7.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.71 132.08 10.81 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 5.1 mp -82.01 134.17 35.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -131.59 111.85 12.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 7.5 m-85 -124.98 50.55 1.74 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 111.044 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.37 145.14 36.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.73 62.16 5.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.177 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.35 42.02 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.55 1.156 . . . . 0.0 111.037 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -115.85 128.53 55.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 0.0 110.335 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 75.0 m -130.93 129.78 42.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.075 . . . . 0.0 109.966 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.732 ' CD1' ' CE1' ' A' ' 58' ' ' HIS . 1.0 OUTLIER -97.73 167.94 10.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 111.032 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.429 ' O ' ' NE2' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -140.31 138.84 35.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 -179.969 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.54 ' HG ' ' HE1' ' A' ' 73' ' ' PHE . 1.5 t -138.35 127.95 24.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.889 ' O ' HD11 ' A' ' 56' ' ' LEU . 20.3 m -76.2 125.01 28.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.702 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.9 m-30 -104.13 44.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 m -64.32 -65.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.388 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.91 123.9 88.21 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.581 1.176 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 134.85 18.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.446 1.761 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 168.74 -163.54 37.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.533 1.145 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 88.6 m -115.03 116.08 27.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 0.721 . . . . 0.0 110.412 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.61 ' CE1' HG11 ' A' ' 48' ' ' VAL . 76.4 m-85 -107.51 96.55 6.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.4 m -80.81 111.88 17.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.367 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.537 ' CE1' HG23 ' A' ' 95' ' ' VAL . 31.6 p90 -118.53 136.59 53.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.687 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -141.54 -179.55 6.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.627 1.205 . . . . 0.0 110.973 179.967 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.52 155.51 21.17 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.514 1.133 . . . . 0.0 108.249 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.472 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 2.3 mt-10 -79.29 -55.81 0.87 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.1 . . . . 0.0 110.284 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.472 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.99 -25.81 11.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.55 1.816 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.571 ' CE1' ' CE1' ' A' ' 39' ' ' HIS . 8.3 m80 -110.67 27.45 9.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.614 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.427 ' HG3' ' CD1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -67.24 70.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 86' ' ' HIS . . . 121.82 38.59 0.61 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.103 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -110.52 29.28 7.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 0.789 . . . . 0.0 109.376 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 89.39 -14.14 61.89 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.584 ' HE1' HD21 ' A' ' 14' ' ' LEU . 9.5 ptm -107.32 120.54 42.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.543 HG12 ' N ' ' A' ' 93' ' ' GLY . 84.3 t -146.81 167.86 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.363 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.543 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -131.14 146.83 18.18 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.515 1.134 . . . . 0.0 111.045 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -138.76 98.58 3.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.537 HG23 ' CE1' ' A' ' 81' ' ' TYR . 2.3 t -79.25 154.57 4.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.23 -179.906 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.0 t -144.55 120.81 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.702 HG22 ' CD2' ' A' ' 73' ' ' PHE . 21.5 t -111.74 140.81 29.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.432 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 22.6 t0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -144.14 179.49 7.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 1.068 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -82.44 126.96 32.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.7 m -78.43 126.99 31.55 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.377 1.048 . . . . 0.0 110.457 179.925 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 31' ' ' TRP . 88.3 t -143.91 101.84 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 143.34 34.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -71.37 -55.82 7.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.15 -133.21 7.9 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.469 1.106 . . . . 0.0 111.031 179.933 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -150.57 150.11 30.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.743 . . . . 0.0 109.982 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.84 66.15 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.906 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.09 -74.06 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.49 41.26 0.02 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.522 ' N ' HD11 ' A' ' 36' ' ' LEU . . . -145.64 125.81 13.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.847 ' CD1' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -74.23 98.48 3.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.7 m -137.74 132.15 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.572 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 35.6 m-85 -80.88 116.08 20.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 1.09 . . . . 0.0 110.969 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 4.7 tt0 -145.15 131.1 9.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.706 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.02 131.82 25.51 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 121.043 -2.482 . . . . 0.0 111.015 0.025 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.438 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 66.5 p -52.13 -37.13 53.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -124.93 128.4 48.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.706 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -131.8 148.13 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.0 m -136.87 100.74 4.39 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.611 1.194 . . . . 0.0 110.372 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.926 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.1 pt -110.05 -179.66 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.472 ' O ' HD12 ' A' ' 23' ' ' ILE . 6.6 mmtt -75.68 174.76 9.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.662 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -95.27 120.04 34.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.85 -24.61 8.85 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.459 1.1 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.02 177.42 6.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.774 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.38 170.1 11.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.38 179.936 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.068 HG22 ' HB3' ' A' ' 3' ' ' ALA . 4.1 t -131.62 130.63 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 ttpp -97.17 158.25 15.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.496 ' O ' ' CB ' ' A' ' 68' ' ' SER . 4.4 m-90 -125.16 155.72 39.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 107.968 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.8 t -142.14 112.97 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -74.96 149.42 39.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -123.31 -77.42 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -145.26 -179.73 6.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.847 HD22 ' CD1' ' A' ' 14' ' ' LEU . 0.7 OUTLIER 65.03 65.57 0.59 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.581 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -95.89 164.14 19.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.0 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.581 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.97 164.21 88.93 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.955 -2.519 . . . . 0.0 110.984 -0.077 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -136.36 99.9 4.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.622 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.8 OUTLIER -110.11 165.99 11.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.244 -179.954 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.1 mp -120.55 101.47 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.162 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.469 ' CG1' ' HG2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -108.4 119.04 57.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.668 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 0.6 OUTLIER -98.01 107.56 20.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 111.003 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.898 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -86.36 114.22 22.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.496 ' HB2' ' HA ' ' A' ' 50' ' ' ALA . . . -41.35 96.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.7 OUTLIER -125.28 62.97 1.17 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 -179.962 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.18 -19.56 6.79 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.735 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -110.33 177.31 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.47 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -76.51 135.87 39.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.941 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.496 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . . . -55.25 -45.93 76.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.538 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -55.9 -58.35 8.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.944 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.488 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -55.89 -33.95 65.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.413 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -77.27 -21.45 53.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -64.45 -43.32 94.62 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -71.98 -37.98 69.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.092 . . . . 0.0 109.365 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.958 HD11 ' O ' ' A' ' 72' ' ' THR . 0.6 OUTLIER -75.02 -20.75 59.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.949 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -74.08 137.72 43.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 0.0 109.982 -179.949 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.774 ' CE1' ' CD1' ' A' ' 69' ' ' PHE . 3.2 m-70 -122.83 99.84 6.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.592 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 0.5 OUTLIER -102.19 48.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.54 ' C ' HD22 ' A' ' 61' ' ' LEU . . . -105.75 169.14 15.73 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.553 ' N ' HD22 ' A' ' 61' ' ' LEU . 1.4 mm? -105.19 120.91 42.7 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.545 0.791 . . . . 0.0 109.243 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -111.58 107.99 17.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 7.1 m-85 -121.88 -43.01 2.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.59 110.73 13.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.583 1.177 . . . . 0.0 109.284 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.97 98.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 163.22 -27.22 0.23 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -74.37 114.61 12.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 110.354 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 2.3 p -111.95 121.01 43.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.572 1.17 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.774 ' CD1' ' CE1' ' A' ' 58' ' ' HIS . 1.3 m-85 -82.37 177.0 8.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.0 m -145.21 155.54 43.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.354 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.469 ' OG ' HD23 ' A' ' 56' ' ' LEU . 15.9 t -139.21 139.75 37.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.011 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.958 ' O ' HD11 ' A' ' 56' ' ' LEU . 27.1 m -91.04 111.21 22.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.443 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.793 ' O ' HG11 ' A' ' 97' ' ' VAL . 4.3 m-30 -95.97 41.57 1.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -67.54 -63.44 1.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.26 119.42 45.83 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.362 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 107.1 2.41 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.535 1.808 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.37 -141.15 3.06 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 78' ' ' THR . 15.3 t -145.32 103.33 3.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 0.73 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.735 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 92.9 m-85 -96.86 137.54 35.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.4 m -116.54 116.06 26.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.592 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 28.0 p90 -118.45 137.03 53.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 111.063 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.898 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -135.71 178.67 6.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' ARG . 0.1 OUTLIER -77.96 127.7 32.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 108.26 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.536 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -61.75 -49.3 86.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.947 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.0 Cg_endo -75.07 -36.0 2.77 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.459 1.768 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -105.4 36.47 2.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.617 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' CYS . 3.9 ppt_? -68.8 -12.33 61.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 110.261 -179.912 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -140.49 54.87 0.64 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.4 -46.33 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 0.82 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 142.59 45.54 0.05 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.572 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 2.2 ttt -145.09 103.6 3.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.543 HG12 ' HB3' ' A' ' 82' ' ' TYR . 16.7 m -145.79 178.35 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -157.98 156.52 27.42 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.58 1.175 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -119.35 169.54 9.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.668 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 45.7 t -145.0 145.41 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.7 t -140.86 103.1 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.793 HG11 ' O ' ' A' ' 73' ' ' PHE . 59.3 t -92.77 141.17 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.662 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.413 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 2.8 p30 -78.24 157.33 29.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 1.081 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . -77.04 163.71 26.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.1 m -137.15 126.33 24.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.362 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.834 HG22 ' HD2' ' A' ' 18' ' ' PRO . 48.9 t -137.33 160.78 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.445 ' CG ' ' HB ' ' A' ' 32' ' ' VAL . 8.5 mttt -127.9 154.32 45.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.5 ptp -94.1 28.37 2.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . 175.96 -136.56 3.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.451 1.094 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.98 157.05 41.21 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.45 0.735 . . . . 0.0 109.973 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.56 70.72 9.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.68 -70.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.977 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.54 44.02 0.02 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.0 130.12 18.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 0.715 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.694 HD12 ' HG3' ' A' ' 91' ' ' MET . 1.4 pp -74.93 101.02 4.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.4 m -137.73 172.95 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.607 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 21.9 m-85 -123.72 111.06 15.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.537 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 19.7 tt0 -145.61 135.14 11.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 110.33 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.834 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.5 Cg_endo -74.95 136.91 47.38 Favored 'Cis proline' 0 C--N 1.359 1.097 0 C-N-CA 121.047 -2.48 . . . . 0.0 110.971 0.04 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.0 p -62.22 -25.1 67.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.03 127.91 33.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.365 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.709 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -135.02 137.67 50.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.935 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.8 m -128.11 112.33 14.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.416 1.072 . . . . 0.0 110.393 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 1.081 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 1.2 pp -117.16 -179.99 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.826 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.73 169.06 18.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.72 143.95 28.07 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.193 -179.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.02 9.18 86.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 0.0 110.954 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.446 ' HB3' HD13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -99.35 -179.65 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 110.333 179.959 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -127.59 148.61 50.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.822 HG22 ' HB3' ' A' ' 3' ' ' ALA . 39.8 t -117.18 149.57 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.9 141.27 52.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.404 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 5.7 m-90 -107.31 179.76 4.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 107.954 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 5' ' ' VAL . 4.9 t -137.34 156.7 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -91.11 155.44 18.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 8' ' ' GLY . 22.2 m120 -147.15 -179.42 6.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.175 . . . . 0.0 109.333 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.688 ' O ' HD12 ' A' ' 36' ' ' LEU . 2.9 mttm -81.19 179.57 7.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.688 HD12 ' O ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER 76.85 61.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.52 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -91.8 161.6 33.34 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 110.03 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.59 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.5 Cg_endo -74.91 159.57 97.78 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.037 -0.054 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.36 117.67 13.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.56 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -112.3 175.26 5.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.8 mt -145.37 107.3 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.699 HG23 ' HB3' ' A' ' 57' ' ' SER . 5.8 p -137.32 120.58 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.615 ' CE1' ' CB ' ' A' ' 81' ' ' TYR . 3.7 m-30 -84.86 158.16 20.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 1.014 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -120.11 141.08 50.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.73 82.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.499 ' O ' HG23 ' A' ' 78' ' ' THR . 1.0 OUTLIER -111.0 78.24 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.49 -26.52 19.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.677 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -95.79 -179.49 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.528 0.781 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.456 ' N ' HG13 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -76.77 150.23 36.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 109.27 -179.95 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.14 -70.33 0.23 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.68 -32.99 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.711 HG22 ' HE2' ' A' ' 79' ' ' TYR . 3.1 m -67.21 -77.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -41.07 -38.78 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.37 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.62 -70.58 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -37.5 72.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.869 HD22 ' CD2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -62.57 -19.39 63.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.699 ' HB3' HG23 ' A' ' 42' ' ' VAL . 4.2 m -88.07 125.41 34.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.026 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.455 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 82.1 m-70 -82.76 101.29 10.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.56 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -92.1 57.37 3.07 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -134.43 179.8 17.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.732 HD12 ' CZ ' ' A' ' 63' ' ' PHE . 3.2 mm? -121.72 130.66 53.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.396 0.703 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -124.89 107.87 11.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.732 ' CZ ' HD12 ' A' ' 61' ' ' LEU . 12.3 m-85 -125.09 51.4 1.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.606 1.191 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.18 140.26 29.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.68 59.84 3.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.073 . . . . 0.0 109.262 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 169.03 40.05 0.03 OUTLIER Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -117.84 133.7 55.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 110.34 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.0 m -137.04 131.99 33.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.455 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 1.3 m-85 -100.03 171.55 7.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.447 ' O ' ' CE1' ' A' ' 58' ' ' HIS . 1.2 p -135.55 136.81 41.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.408 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.5 t -123.51 146.11 48.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.933 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.622 ' O ' HD11 ' A' ' 56' ' ' LEU . 1.2 m -88.66 114.4 25.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.399 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.996 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.2 m-85 -104.3 62.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 111.045 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.48 -55.63 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.412 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -77.76 123.92 86.44 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.254 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 100.38 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.431 1.753 . . . . 0.0 111.035 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -152.41 -139.43 2.92 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 -179.878 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 46' ' ' ASP . 14.6 t -145.53 128.42 16.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 0.794 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.869 ' CD2' HD22 ' A' ' 56' ' ' LEU . 91.1 m-85 -120.59 102.9 8.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.1 p -74.04 100.62 3.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.412 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.896 ' CD1' HG23 ' A' ' 95' ' ' VAL . 50.8 p90 -95.24 131.33 41.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 1.014 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -145.15 -179.73 6.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.984 -179.939 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.03 119.09 23.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 108.35 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.658 ' HG3' HG11 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -44.62 -49.87 25.31 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 110.32 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.6 Cg_endo -74.97 -50.07 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.46 1.768 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -87.57 45.22 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.615 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.62 4.73 39.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -157.6 61.76 0.32 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -144.87 -54.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.77 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 159.58 42.08 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.694 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -145.92 99.71 3.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 0.722 . . . . 0.0 111.041 179.97 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.533 HG12 ' N ' ' A' ' 93' ' ' GLY . 73.0 t -145.86 167.27 8.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.417 1.073 . . . . 0.0 109.283 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.533 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -137.36 177.84 19.51 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.27 119.68 9.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 0.753 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.896 HG23 ' CD1' ' A' ' 81' ' ' TYR . 40.2 t -99.73 151.1 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.1 t -142.08 130.87 22.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.228 -179.948 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.996 HG22 ' CD2' ' A' ' 73' ' ' PHE . 54.6 t -116.94 142.29 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.6 t0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.954 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -96.96 179.29 4.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 1.043 ' HB2' HG21 ' A' ' 23' ' ' ILE . . . -75.17 148.26 39.73 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.577 1.173 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.9 m -130.24 129.88 43.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.345 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.653 HG22 ' HD2' ' A' ' 18' ' ' PRO . 81.4 t -132.83 156.36 42.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.77 126.29 43.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.41 ' CG ' ' HA ' ' A' ' 33' ' ' ASN . 9.9 ptp -77.68 53.3 1.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 9' ' ' SER . . . 135.65 134.91 3.39 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 8' ' ' GLY . 0.4 OUTLIER -41.42 162.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.769 . . . . 0.0 110.039 179.945 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -74.24 69.33 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.0 t 71.24 96.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.579 1.174 . . . . 0.0 109.971 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.11 -73.93 0.09 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.21 162.52 36.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.825 HD12 ' SD ' ' A' ' 91' ' ' MET . 0.5 OUTLIER -82.38 100.1 9.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.4 m -143.61 134.34 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.51 ' CE2' ' HG3' ' A' ' 91' ' ' MET . 29.4 m-85 -76.48 120.59 21.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.474 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.4 tp10 -143.05 131.06 11.17 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.865 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.5 Cg_endo -74.93 135.23 39.51 Favored 'Cis proline' 0 C--N 1.359 1.109 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.004 -0.068 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.9 p -53.16 -31.25 41.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.025 179.924 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.2 m -130.69 114.84 15.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.436 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.865 HG12 ' HG2' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -119.16 134.7 61.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.6 m -133.24 108.89 9.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 1.043 HG21 ' HB2' ' A' ' 3' ' ' ALA . 6.1 pt -114.38 -179.87 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -75.02 179.27 5.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.467 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -96.78 90.8 5.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.63 -16.73 2.23 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.714 ' HB3' HD12 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -76.34 175.67 8.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.296 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.891 ' OE2' HG23 ' A' ' 72' ' ' THR . 1.9 mp0 -116.59 178.01 4.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.878 HG22 ' HB3' ' A' ' 3' ' ' ALA . 22.3 t -138.06 109.38 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -90.63 123.99 34.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.362 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.573 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 1.4 m-90 -96.71 169.33 9.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 107.942 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 t -145.56 131.46 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.489 ' CG ' ' HB1' ' A' ' 62' ' ' ALA . 49.6 t30 -74.72 140.2 43.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 179.946 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.09 -158.98 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.639 ' C ' HD22 ' A' ' 36' ' ' LEU . 1.2 mmpt? -76.69 -179.54 5.4 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.639 HD22 ' C ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER 72.14 23.23 3.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.578 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -76.94 164.57 58.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.088 179.966 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.578 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.03 160.64 96.23 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 120.98 -2.509 . . . . 0.0 111.041 0.047 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.403 ' CB ' ' SD ' ' A' ' 7' ' ' MET . 3.1 m-70 -131.73 156.1 46.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.564 1.165 . . . . 0.0 109.637 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.496 ' OD1' HD23 ' A' ' 61' ' ' LEU . 3.5 m-20 -135.85 169.7 17.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.389 1.056 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.8 mt -141.91 99.31 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -112.91 130.57 66.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.873 ' CD2' HD23 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -104.13 100.81 10.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.98 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.963 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -77.19 129.74 36.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.426 ' HB2' ' HA ' ' A' ' 50' ' ' ALA . . . -51.87 91.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 44' ' ' ALA . 3.8 m-20 -121.04 85.1 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.91 -20.01 52.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.96 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -111.56 -178.79 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.503 0.767 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.547 ' H ' HG22 ' A' ' 48' ' ' VAL . 24.8 m-20 -74.14 166.87 22.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.426 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . . . -77.04 -57.93 3.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.83 -62.75 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.495 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 20.6 m -45.76 -52.16 11.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.381 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.593 ' O ' HD22 ' A' ' 56' ' ' LEU . . . -53.33 -41.51 65.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.421 ' HA ' ' OG ' ' A' ' 57' ' ' SER . . . -78.07 0.47 24.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.496 ' HB3' HD13 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -82.11 -50.26 9.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.873 HD23 ' CD2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -90.01 -1.85 58.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.39 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.453 ' HB3' ' O ' ' A' ' 53' ' ' ALA . 37.4 p -72.24 166.13 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.96 -179.943 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.577 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 92.1 m-70 -145.3 99.65 3.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.623 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -97.43 47.44 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.418 ' O ' ' ND2' ' A' ' 40' ' ' ASN . . . -106.72 -142.05 10.52 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.632 HD22 ' HE1' ' A' ' 63' ' ' PHE . 10.7 mt -149.28 168.96 21.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 0.716 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.489 ' HB1' ' CG ' ' A' ' 33' ' ' ASN . . . -142.93 102.8 4.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.632 ' HE1' HD22 ' A' ' 61' ' ' LEU . 6.1 m-85 -118.34 -48.47 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.1 132.73 36.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.16 89.53 4.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.03 -28.44 0.2 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.569 1.168 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -74.69 133.14 42.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 0.795 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.9 172.42 12.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.577 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 22.4 m-30 -123.82 165.71 16.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 110.95 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.533 ' O ' ' CE1' ' A' ' 58' ' ' HIS . 12.0 m -136.8 151.35 49.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.398 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.526 ' OG ' ' CZ3' ' A' ' 31' ' ' TRP . 2.5 p -143.9 155.88 44.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.405 1.066 . . . . 0.0 109.954 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.891 HG23 ' OE2' ' A' ' 28' ' ' GLU . 25.2 m -114.92 115.99 27.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 110.416 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.825 ' CE2' HG21 ' A' ' 29' ' ' VAL . 6.9 m-30 -99.02 66.83 1.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.498 HG22 ' N ' ' A' ' 75' ' ' GLU . 0.4 OUTLIER -86.68 -53.49 4.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.469 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.498 ' N ' HG22 ' A' ' 74' ' ' THR . 1.2 tp10 -65.75 119.6 61.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 101.23 1.45 Allowed 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.546 1.814 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.69 -145.11 4.07 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.8 m -141.24 110.66 6.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 0.772 . . . . 0.0 110.426 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.96 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 90.5 m-85 -109.22 138.17 45.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 m -121.41 110.43 16.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.177 . . . . 0.0 110.39 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.691 ' CE1' HG23 ' A' ' 95' ' ' VAL . 41.5 p90 -107.29 130.52 54.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.963 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -131.67 -179.55 5.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 179.961 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.41 ' O ' ' CA ' ' A' ' 87' ' ' ARG . 1.3 t -81.42 135.68 35.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 108.324 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.465 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -62.07 -55.42 41.03 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 110.29 -179.949 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.465 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -75.0 -41.4 0.66 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.484 1.781 . . . . 0.0 111.028 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -96.26 37.4 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.585 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.41 ' CA ' ' O ' ' A' ' 83' ' ' CYS . 7.7 tmm_? -68.61 102.06 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.05 21.57 56.95 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.495 1.122 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.36 -23.03 50.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 148.5 -29.14 1.32 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.595 1.185 . . . . 0.0 110.994 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.825 ' SD ' HD12 ' A' ' 14' ' ' LEU . 14.8 ptm -103.38 122.25 44.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.78 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 93' ' ' GLY . 54.6 t -145.97 165.87 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.5 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -123.99 150.8 17.02 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 tttp -134.32 103.38 5.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 109.255 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.691 HG23 ' CE1' ' A' ' 81' ' ' TYR . 3.0 t -90.93 147.34 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.353 179.917 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.1 t -144.58 116.34 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.429 ' CG1' ' HA ' ' A' ' 25' ' ' ALA . 37.4 t -98.2 144.34 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.467 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -138.69 176.37 8.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 1.016 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -79.19 118.26 20.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 27.4 m -84.4 128.31 34.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.436 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.714 ' CG2' HG11 ' A' ' 21' ' ' VAL . 79.8 t -139.9 100.27 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.0 143.91 45.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.842 ' SD ' HD11 ' A' ' 41' ' ' ILE . 1.4 mpp? -80.42 -63.13 1.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.432 ' HA3' ' CB ' ' A' ' 34' ' ' ASN . . . -88.75 -152.92 26.18 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.424 1.077 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.663 ' HB3' HG22 ' A' ' 15' ' ' VAL . 31.1 p -121.73 158.81 27.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.978 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -88.08 66.94 8.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.0 t -176.39 -69.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.3 44.44 0.04 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.438 1.086 . . . . 0.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' A' ' 9' ' ' SER . . . -143.03 129.73 20.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 0.744 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.707 HD23 HD13 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -83.71 100.69 11.04 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.663 HG22 ' HB3' ' A' ' 9' ' ' SER . 17.1 m -145.27 131.47 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.221 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.497 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 41.9 m-85 -82.07 116.76 21.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.946 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.8 tt0 -142.75 130.18 11.08 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.675 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.94 132.62 28.15 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.032 -0.096 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.423 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 99.8 p -54.7 -36.47 64.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.005 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.1 m -123.28 121.8 36.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.423 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.714 HG11 ' CG2' ' A' ' 5' ' ' VAL . 1.0 OUTLIER -124.74 144.83 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 m -132.96 100.42 4.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.886 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.1 pt -111.86 -179.7 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.928 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.562 ' O ' HD12 ' A' ' 23' ' ' ILE . 42.7 mmtt -80.54 176.26 9.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.73 134.14 35.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.21 -20.9 45.34 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.97 179.67 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 110.263 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -121.64 178.48 4.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.583 1.177 . . . . 0.0 110.342 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.016 HG22 ' HB3' ' A' ' 3' ' ' ALA . 3.0 t -143.65 116.5 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 109.36 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -82.13 161.03 22.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.606 ' CD1' ' O ' ' A' ' 5' ' ' VAL . 2.4 m-90 -127.49 175.12 8.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 107.964 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.2 t -136.22 131.69 49.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 64' ' ' ALA . 0.5 OUTLIER -75.96 128.04 34.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.432 ' CB ' ' HA3' ' A' ' 8' ' ' GLY . 10.9 m120 -120.42 176.97 5.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.4 OUTLIER -81.53 174.71 11.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 -179.937 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.707 HD13 HD23 ' A' ' 14' ' ' LEU . 9.3 mt 80.02 70.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.109 . . . . 0.0 109.371 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.523 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -85.43 161.99 49.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 -179.935 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.588 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.3 Cg_endo -74.96 159.77 97.52 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.046 -2.481 . . . . 0.0 110.999 -0.06 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.443 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 0.7 OUTLIER -139.44 108.78 6.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.543 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.42 ' ND2' ' HB2' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -135.67 177.06 8.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.933 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.842 HD11 ' SD ' ' A' ' 7' ' ' MET . 3.8 mp -122.86 102.58 11.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.26 107.83 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.717 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -87.66 109.46 19.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.087 179.927 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.758 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -86.26 112.11 21.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.173 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.11 96.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 1.128 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 44' ' ' ALA . 14.4 p-10 -119.7 73.34 0.96 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.28 -32.01 6.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.018 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -88.8 -179.33 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.77 . . . . 0.0 109.347 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.51 ' O ' HG13 ' A' ' 48' ' ' VAL . 36.1 t70 -74.22 170.14 16.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.11 -64.39 1.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.338 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.786 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -46.73 -44.8 19.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 179.975 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.496 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 87.3 m -56.72 -56.85 16.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.38 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.28 -22.79 63.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.786 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -58.19 -70.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -57.77 -38.62 75.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.258 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.866 HD22 ' CD1' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -54.3 -36.76 64.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.949 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 77.0 p -79.89 132.1 36.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.997 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.753 ' CE1' HD13 ' A' ' 41' ' ' ILE . 7.3 p80 -133.23 99.61 4.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.604 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.75 -82.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 109.327 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.55 -51.11 3.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.449 HD12 ' HZ ' ' A' ' 63' ' ' PHE . 4.1 mm? 68.12 53.51 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.11 135.52 33.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.588 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 7.9 m-85 -126.15 32.47 5.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.446 ' O ' ' ND2' ' A' ' 33' ' ' ASN . . . -120.24 -179.14 3.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -119.71 93.39 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.35 -32.28 0.54 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -74.58 117.91 16.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 0.724 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.7 m -115.47 158.44 22.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.968 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.412 ' HB3' ' ND1' ' A' ' 58' ' ' HIS . 26.3 m-85 -118.74 174.6 6.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.7 m -144.14 155.45 43.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.9 t -136.83 141.48 42.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.5 m -87.81 99.65 12.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.396 1.06 . . . . 0.0 110.324 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.599 ' CB ' HD11 ' A' ' 23' ' ' ILE . 4.5 m-30 -86.78 55.27 3.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.4 m -74.99 -70.24 0.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 110.379 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.43 124.7 83.71 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 113.84 3.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.517 1.798 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -164.92 -158.95 10.78 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.3 m -128.33 94.61 3.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 0.775 . . . . 0.0 110.345 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 1.018 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 98.4 m-85 -89.52 137.42 32.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.3 m -115.99 115.02 25.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.478 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.581 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 30.1 p90 -115.75 124.94 52.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.935 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.758 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -122.99 -178.93 4.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 111.029 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.13 125.02 31.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.419 1.074 . . . . 0.0 108.267 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.518 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.7 OUTLIER -42.94 -50.37 13.58 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.296 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -74.97 -56.32 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.561 ' ND1' HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -80.05 58.02 2.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.595 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.4 70.42 1.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.74 41.79 0.24 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 111.041 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -118.37 -78.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -178.11 34.93 0.08 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.57 1.169 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.497 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -145.46 98.66 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 110.962 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.699 HG13 ' HB3' ' A' ' 82' ' ' TYR . 7.1 t -146.33 168.01 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.438 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -137.87 139.59 10.52 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.408 1.067 . . . . 0.0 111.073 179.944 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.36 147.84 28.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 0.778 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.717 HG21 ' HZ ' ' A' ' 43' ' ' PHE . 51.5 t -121.55 147.69 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.6 t -143.44 104.4 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.415 HG22 ' CD2' ' A' ' 73' ' ' PHE . 59.5 t -99.98 143.26 14.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.334 -180.0 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.401 ' O ' ' OE2' ' A' ' 27' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -145.7 177.35 8.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 1.043 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -89.68 101.97 14.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.0 m -79.34 128.11 32.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.388 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.413 ' CG2' HG11 ' A' ' 21' ' ' VAL . 76.2 t -144.33 118.54 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 137.4 32.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.649 ' HE2' HD11 ' A' ' 41' ' ' ILE . 1.9 ttm -103.51 74.44 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.404 ' O ' ' CG ' ' A' ' 34' ' ' ASN . . . 119.99 104.09 2.02 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.477 1.111 . . . . 0.0 111.075 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.1 p -41.12 150.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.982 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.88 58.94 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.27 -67.74 0.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.13 53.55 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.29 114.16 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.862 ' HB3' HD22 ' A' ' 36' ' ' LEU . 1.1 pt? -74.74 100.44 4.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -145.6 177.55 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 91' ' ' MET . 63.8 m-85 -122.5 103.5 8.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 111.014 -179.947 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 1.6 tp10 -137.33 123.78 13.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.535 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.98 143.5 78.0 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.006 -2.498 . . . . 0.0 111.022 -0.058 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 p -74.53 -25.32 59.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 110.029 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.8 m -131.45 124.63 30.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.551 HG21 ' HB1' ' A' ' 3' ' ' ALA . 1.0 OUTLIER -136.96 156.89 35.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.949 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 53.1 m -121.02 104.86 10.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.396 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.569 HD13 HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -108.72 146.36 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.364 179.944 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.522 ' O ' ' CD1' ' A' ' 23' ' ' ILE . 1.0 OUTLIER -73.22 166.61 22.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.966 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.62 149.04 38.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.69 -28.44 6.44 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.401 ' OE2' ' O ' ' A' ' 1' ' ' ALA . 0.3 OUTLIER -75.41 174.59 9.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 110.275 -179.99 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -127.4 -179.93 5.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.043 HG22 ' HB3' ' A' ' 3' ' ' ALA . 4.0 t -127.58 161.76 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.464 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 6.4 ttmt -134.73 141.07 46.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.595 ' CG ' HD13 ' A' ' 41' ' ' ILE . 2.1 m-90 -117.78 127.29 53.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.02 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.2 t -110.23 108.74 26.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -75.49 146.56 40.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.373 1.046 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 8' ' ' GLY . 9.9 m120 -123.01 -71.4 0.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -145.12 179.93 7.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.862 HD22 ' HB3' ' A' ' 14' ' ' LEU . 3.1 mp 70.24 57.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.363 -179.948 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.512 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -97.94 161.65 24.9 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 -179.935 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.512 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.95 160.24 96.82 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.093 -2.461 . . . . 0.0 111.003 -0.048 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -134.59 107.48 7.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.609 179.969 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.44 164.72 11.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.649 HD11 ' HE2' ' A' ' 7' ' ' MET . 5.7 mt -128.01 104.85 12.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.88 122.77 61.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.63 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -99.51 99.91 10.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.93 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -74.47 108.69 7.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.558 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -50.31 98.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.1 80.93 1.87 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.99 -27.77 9.36 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.0 HG11 ' CE1' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -97.02 -179.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.485 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -74.07 156.95 36.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.977 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -71.12 -66.66 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.43 -32.9 5.49 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.69 ' O ' HD12 ' A' ' 56' ' ' LEU . 53.6 m -66.99 -43.37 83.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.396 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.558 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -87.54 -4.55 58.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -73.01 -48.54 35.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -79.55 -40.59 29.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.831 HD21 ' CD1' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -59.81 -28.46 67.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.1 p -80.08 161.58 25.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.597 1.185 . . . . 0.0 110.003 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -135.49 99.86 4.34 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.51 1.131 . . . . 0.0 109.618 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -100.93 57.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.853 ' C ' HD22 ' A' ' 61' ' ' LEU . . . -133.86 -168.73 11.89 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.554 1.159 . . . . 0.0 111.047 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.853 HD22 ' C ' ' A' ' 60' ' ' GLY . 2.3 mm? -127.82 156.66 42.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 0.785 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.49 129.58 18.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.486 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 15.2 m-85 -133.39 43.12 2.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.68 106.91 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.24 86.31 1.09 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.79 -32.81 0.13 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.558 1.161 . . . . 0.0 111.074 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -76.21 156.33 33.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 3.3 p -144.16 128.26 17.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.972 -179.952 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -75.07 171.66 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.3 m -141.29 147.66 38.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.81 ' HB2' HD23 ' A' ' 56' ' ' LEU . 90.7 p -145.04 127.04 15.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.676 ' O ' HD11 ' A' ' 56' ' ' LEU . 99.0 m -101.87 136.51 41.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.831 ' CD1' HD21 ' A' ' 56' ' ' LEU . 3.6 m-85 -109.21 80.44 1.32 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.174 . . . . 0.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.7 p -60.71 -54.39 45.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.412 -179.947 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -88.72 126.73 58.77 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.266 179.939 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.16 104.67 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.33 -142.43 3.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.4 m -134.9 102.29 5.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 1.0 ' CE1' HG11 ' A' ' 48' ' ' VAL . 98.2 m-85 -97.25 140.16 32.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 111.084 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 p -121.73 111.91 17.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.399 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.623 ' HE1' HG23 ' A' ' 95' ' ' VAL . 39.6 p90 -110.18 142.11 42.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.93 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -144.98 173.17 12.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 -179.969 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 1.108 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 57.3 m -79.62 129.16 34.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 108.316 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.489 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -54.68 -52.33 71.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.341 179.964 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.09 -47.34 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.785 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.01 46.11 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.622 179.949 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.478 ' CA ' ' O ' ' A' ' 83' ' ' CYS . 10.9 ttt180 -66.68 -46.65 74.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.38 39.38 2.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -92.3 -78.79 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -176.45 33.57 0.08 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.467 1.105 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 1.108 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER -145.66 117.2 8.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 111.046 179.994 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.47 HG12 ' N ' ' A' ' 93' ' ' GLY . 25.0 t -145.67 166.15 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.226 -179.941 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.52 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -143.87 151.65 23.54 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.21 110.07 8.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.623 HG23 ' HE1' ' A' ' 81' ' ' TYR . 55.6 t -98.91 141.57 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.9 t -125.25 134.62 66.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.72 HG21 ' CD2' ' A' ' 73' ' ' PHE . 97.5 t -128.48 147.88 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.963 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -75.89 173.14 11.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.549 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -98.69 149.49 22.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.352 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.9 m -144.15 129.34 18.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.422 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.88 HG22 ' HD2' ' A' ' 18' ' ' PRO . 64.3 t -135.19 126.43 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.632 1.207 . . . . 0.0 109.244 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -97.72 145.01 26.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.497 ' O ' ' CG ' ' A' ' 7' ' ' MET . 0.6 OUTLIER -109.69 101.04 9.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.935 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.509 ' HA3' HD12 ' A' ' 36' ' ' LEU . . . 108.77 93.8 2.3 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.5 p -49.26 143.29 6.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 0.781 . . . . 0.0 110.015 -179.94 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -77.02 58.84 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.4 t -148.06 -60.66 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.026 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.3 43.48 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.97 117.24 8.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 0.799 . . . . 0.0 109.314 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.835 ' HA ' HD13 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -80.91 100.4 8.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.0 m -144.39 172.22 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.511 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 28.5 m-85 -115.43 105.67 13.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 9.5 mt-10 -133.77 133.4 22.3 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.88 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.3 Cg_endo -74.98 132.47 27.66 Favored 'Cis proline' 0 C--N 1.359 1.121 0 C-N-CA 121.089 -2.463 . . . . 0.0 110.958 -0.031 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.435 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 88.0 p -52.41 -36.64 54.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 110.027 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -127.83 138.74 52.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.671 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.1 m -141.67 156.89 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.0 m -124.23 101.58 7.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.117 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.633 HD13 HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -110.25 146.41 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.594 1.184 . . . . 0.0 109.406 179.914 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.498 ' O ' ' CD1' ' A' ' 23' ' ' ILE . 16.5 mttt -73.83 168.7 18.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.383 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.87 145.74 36.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.17 -17.0 40.11 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.536 1.147 . . . . 0.0 110.975 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.49 177.44 8.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -128.34 168.83 14.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.568 ' HB ' ' CZ3' ' A' ' 31' ' ' TRP . 36.1 t -132.88 136.68 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.96 145.7 30.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CZ3' ' HB ' ' A' ' 29' ' ' VAL . 8.4 m-90 -124.86 121.7 35.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.04 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.7 t -106.57 129.35 60.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -97.27 153.38 18.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.591 1.182 . . . . 0.0 109.26 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -135.18 -85.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.85 178.67 6.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.835 HD13 ' HA ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER 79.74 30.53 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 179.969 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.52 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -70.2 161.83 73.35 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 179.976 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.52 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.98 162.44 92.84 Favored 'Cis proline' 0 C--N 1.361 1.206 0 C-N-CA 121.035 -2.485 . . . . 0.0 110.99 -0.003 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.467 ' CG ' ' HG3' ' A' ' 7' ' ' MET . 0.6 OUTLIER -139.6 103.12 4.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.649 179.927 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -119.23 141.83 48.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 58' ' ' HIS . 13.0 mm -93.25 98.27 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.788 HG13 ' HG3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -101.9 101.17 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.63 ' CE2' ' CB ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -65.68 125.21 24.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 -179.969 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -104.75 100.0 9.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.18 98.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -122.48 60.49 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.5 -17.24 8.39 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.575 1.172 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.1 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -102.32 178.88 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.28 -179.939 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.472 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -83.84 139.15 32.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.947 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -56.51 -52.09 66.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.461 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 4.4 m-20 -46.06 -54.91 7.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.915 ' O ' HD12 ' A' ' 56' ' ' LEU . 34.4 m -55.9 -35.24 66.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 179.969 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.437 ' HB1' ' HB3' ' A' ' 43' ' ' PHE . . . -76.31 -24.41 54.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.578 1.174 . . . . 0.0 109.287 -179.925 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -67.2 -28.01 67.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.78 -38.32 19.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.915 HD12 ' O ' ' A' ' 52' ' ' THR . 1.9 mp -84.97 0.44 51.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.244 -179.912 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.2 m -82.02 153.54 26.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.026 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.59 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 86.8 m-70 -144.84 101.91 3.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.563 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.788 ' HG3' HG13 ' A' ' 42' ' ' VAL . 1.7 mtmp? -132.89 30.37 4.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -88.32 15.75 55.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.14 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.691 ' CD1' ' CE2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER 75.93 161.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 0.751 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.586 ' O ' ' CD1' ' A' ' 63' ' ' PHE . . . -145.0 106.23 4.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.691 ' CE2' ' CD1' ' A' ' 61' ' ' LEU . 10.3 m-85 -158.16 44.62 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.606 ' HB3' ' OE2' ' A' ' 67' ' ' GLU . . . -144.55 100.25 3.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.86 117.8 3.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.0 24.59 6.51 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.606 ' OE2' ' HB3' ' A' ' 64' ' ' ALA . 4.2 mt-10 -112.78 123.18 49.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 110.321 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 31' ' ' TRP . 6.7 p -126.66 121.54 32.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.59 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 17.6 m-85 -78.96 171.18 15.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.9 m -143.72 147.1 33.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.468 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.728 ' OG ' HD23 ' A' ' 56' ' ' LEU . 9.5 p -143.45 145.65 32.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 110.026 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.777 ' O ' HD11 ' A' ' 56' ' ' LEU . 21.9 m -117.18 135.66 53.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.421 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.799 ' CD2' HG21 ' A' ' 97' ' ' VAL . 3.6 m-85 -104.69 82.14 1.86 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.7 p -52.81 -70.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.592 1.182 . . . . 0.0 110.467 179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 0.6 OUTLIER -86.39 142.92 35.77 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 18.2 Cg_endo -75.01 120.31 6.01 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.472 1.775 . . . . 0.0 111.04 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -164.84 -138.8 2.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.724 HG21 ' HE3' ' A' ' 94' ' ' LYS . 20.2 m -143.49 119.91 10.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 0.8 . . . . 0.0 110.411 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 1.1 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 96.9 m-85 -113.29 106.86 15.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.402 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 54.1 m -88.28 110.41 20.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.362 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.597 ' OH ' HG11 ' A' ' 5' ' ' VAL . 39.1 p90 -113.73 131.31 56.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.552 1.158 . . . . 0.0 110.985 179.952 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -130.79 169.23 15.99 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.748 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 20.4 m -77.54 129.57 35.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 108.274 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 3.0 tt0 -63.16 -51.57 68.66 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -75.0 -12.66 21.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.588 1.836 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.83 52.83 1.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.597 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.528 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -67.14 -56.95 7.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.225 -179.96 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.21 48.91 1.25 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.11 45.2 2.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.465 0.744 . . . . 0.0 109.35 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 50.17 39.35 34.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.748 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER -134.69 99.3 4.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.526 0.78 . . . . 0.0 110.962 179.95 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.523 HG12 ' H ' ' A' ' 93' ' ' GLY . 18.5 t -145.9 171.24 4.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.523 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -151.89 138.16 6.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.724 ' HE3' HG21 ' A' ' 78' ' ' THR . 4.4 tttt -126.41 115.86 20.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 0.78 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.01 133.14 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.246 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.6 t -110.92 133.0 57.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.799 HG21 ' CD2' ' A' ' 73' ' ' PHE . 82.7 t -129.23 140.97 47.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.924 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.266 -179.944 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -145.55 135.08 23.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.355 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 1.06 ' HB2' HG21 ' A' ' 23' ' ' ILE . . . -87.28 132.39 33.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 49.7 m -136.36 118.46 15.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.434 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.8 t -125.79 150.12 30.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -140.44 123.48 16.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.7 ptp -84.06 145.72 28.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.962 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' SER . . . 68.32 92.18 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.142 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' GLY . 2.4 m -38.6 149.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -74.08 59.18 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -148.96 -70.46 0.21 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.482 1.114 . . . . 0.0 110.062 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.55 43.05 0.03 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.1 . . . . 0.0 111.067 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.22 150.36 36.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.48 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -97.58 102.26 13.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -143.47 156.75 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.4 1.062 . . . . 0.0 109.316 179.946 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -100.97 111.06 23.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -140.45 123.89 10.31 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.275 179.948 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.69 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.5 Cg_endo -74.99 135.7 41.74 Favored 'Cis proline' 0 C--N 1.361 1.222 0 C-N-CA 121.032 -2.487 . . . . 0.0 111.027 0.028 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.0 p -57.63 -33.27 68.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.015 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.5 m -133.65 131.09 39.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 0.0 110.425 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.69 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -127.59 137.65 57.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.6 m -122.34 101.22 7.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.428 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 1.06 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.1 pp -108.16 -179.02 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.545 1.153 . . . . 0.0 109.36 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.565 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -78.01 179.4 6.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.706 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -98.18 89.0 4.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.62 -14.6 2.23 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.478 ' HB3' HD13 ' A' ' 23' ' ' ILE . 1.6 tp10 -74.71 -179.67 4.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -122.87 173.9 7.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.26 -179.972 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.89 HG22 ' HB3' ' A' ' 3' ' ' ALA . 77.7 t -134.91 159.95 41.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -135.28 147.78 49.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.475 ' CD1' HD13 ' A' ' 41' ' ' ILE . 6.4 m-90 -128.16 143.33 51.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 108.01 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.5 t -132.82 140.24 47.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.17 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -94.9 148.5 22.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -133.75 -88.87 0.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.55 ' HB3' HD22 ' A' ' 36' ' ' LEU . 2.3 mmtt -119.38 -179.7 3.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.63 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 1.7 mm? 60.9 71.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.238 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.587 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -126.17 164.95 30.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 110.008 179.966 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.587 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -74.99 153.46 99.18 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.981 -0.032 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.63 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -142.26 125.15 16.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.582 -179.982 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -103.12 173.68 6.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.173 . . . . 0.0 109.288 179.963 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.475 HD13 ' CD1' ' A' ' 31' ' ' TRP . 81.2 mt -132.97 102.06 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.357 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.475 ' CG1' ' HG2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -104.46 161.59 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.936 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -138.92 97.63 3.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 -179.986 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -77.29 114.29 15.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.16 96.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 44' ' ' ALA . 7.3 p-10 -109.91 66.86 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.82 -26.04 9.15 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.467 1.104 . . . . 0.0 111.075 -179.958 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.037 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -90.42 -179.51 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.524 ' H ' HG22 ' A' ' 48' ' ' VAL . 3.6 m-20 -74.78 170.69 15.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -84.17 -64.78 1.1 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.238 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.62 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 2.0 m-20 -46.17 -39.69 10.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.503 ' CG2' ' OH ' ' A' ' 79' ' ' TYR . 19.4 m -60.83 -55.4 33.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.47 -2.8 30.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.94 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -73.33 -48.41 34.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -85.14 -37.43 20.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -32.02 69.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.8 p -79.04 155.83 28.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.0 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.475 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 68.9 m-70 -128.08 100.04 5.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.619 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -93.8 29.76 1.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -180.0 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.29 -171.89 43.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.615 HD12 ' CE1' ' A' ' 63' ' ' PHE . 0.7 OUTLIER -126.89 146.46 50.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.55 116.67 29.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.615 ' CE1' HD12 ' A' ' 61' ' ' LEU . 17.8 m-30 -124.24 -47.69 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.23 128.97 34.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.35 67.22 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 169.75 41.86 0.03 OUTLIER Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.428 1.08 . . . . 0.0 111.028 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -122.22 101.34 7.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 0.729 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.0 p -104.29 145.09 30.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.933 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.475 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 11.6 m-85 -104.31 172.32 6.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.4 m -144.29 148.92 35.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 110.413 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.4 p -143.32 164.63 29.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.983 -179.966 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.4 m -120.97 113.07 19.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.771 ' CB ' HD11 ' A' ' 23' ' ' ILE . 5.4 m-30 -92.99 68.8 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.8 m -84.59 -60.56 2.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 110.478 179.904 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.5 123.6 88.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 110.77 3.18 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.456 1.767 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.6 -146.52 4.43 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.142 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.5 m -145.14 87.53 1.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 0.754 . . . . 0.0 110.482 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 1.037 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 94.9 m-85 -81.37 143.34 32.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.936 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.0 m -126.52 115.45 19.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.419 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.583 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 28.6 p90 -116.83 135.43 53.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 111.049 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.426 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -142.78 -179.43 6.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 111.026 179.956 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 87' ' ' ARG . 1.7 t -85.35 118.97 25.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 108.355 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 2.9 mt-10 -36.75 -53.69 1.81 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.315 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.1 Cg_endo -75.02 -48.2 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.481 1.779 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -95.76 53.09 1.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 109.501 -179.892 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 83' ' ' CYS . 2.3 ptp180 -82.91 53.89 2.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 127.72 51.08 0.14 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.485 1.115 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -123.9 26.07 7.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 113.1 -26.94 9.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 91' ' ' MET . 26.0 ptm -109.46 119.75 40.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 0.762 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.546 HG12 ' N ' ' A' ' 93' ' ' GLY . 91.2 t -146.24 168.34 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.546 ' N ' HG12 ' A' ' 92' ' ' VAL . . . -133.15 133.53 7.05 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.426 1.079 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.34 119.36 24.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 109.368 179.937 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.454 HG11 ' CZ ' ' A' ' 73' ' ' PHE . 2.3 t -109.47 144.95 16.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.1 t -140.62 105.41 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.916 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.573 HG22 ' CD2' ' A' ' 73' ' ' PHE . 61.3 t -87.82 141.41 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.706 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 3.5 t0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.935 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -145.01 -179.95 6.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.949 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -75.83 115.04 15.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 89.7 m -81.1 130.08 34.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.418 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.722 HG21 HG11 ' A' ' 21' ' ' VAL . 42.1 t -145.18 105.39 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.368 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.56 121.79 22.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -29.51 69.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -122.35 -149.53 7.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 111.064 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -126.38 161.56 27.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 110.004 179.915 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -74.23 68.14 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.3 t 70.83 81.38 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.12 -79.31 0.04 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.547 1.154 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -143.33 179.29 7.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.46 100.06 9.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.4 m -145.05 150.58 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.565 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 64.0 m-85 -91.79 121.09 33.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.468 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 9.7 tt0 -144.23 123.36 7.15 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.301 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.791 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.97 129.25 18.12 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.019 -0.016 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.412 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 46.0 p -51.17 -30.59 17.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.399 1.062 . . . . 0.0 109.961 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.0 m -127.3 110.42 12.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.41 179.965 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.791 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -115.91 132.77 64.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.925 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.6 m -127.03 102.8 7.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.421 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.879 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.5 pt -107.44 179.0 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 0.0 109.352 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -75.81 171.75 13.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.707 ' HB2' ' C ' ' A' ' 98' ' ' ASP . . . -89.07 126.65 35.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.56 1.162 . . . . 0.0 109.255 -179.925 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.623 ' HA2' HG22 ' A' ' 74' ' ' THR . . . 108.7 -17.61 32.93 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.934 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.429 ' HB3' HD12 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -78.44 -179.62 6.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.803 . . . . 0.0 110.343 179.917 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -123.45 180.0 4.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.949 HG22 ' HB3' ' A' ' 3' ' ' ALA . 2.8 t -144.49 147.98 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.402 1.064 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -120.34 155.73 32.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.411 1.069 . . . . 0.0 109.277 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.634 ' CG ' HD13 ' A' ' 41' ' ' ILE . 19.3 m-90 -134.78 109.78 8.78 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.6 t -74.89 136.08 25.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -75.1 116.78 16.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.597 1.186 . . . . 0.0 109.372 179.954 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -102.99 -174.04 2.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.933 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.788 ' C ' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -75.01 178.36 5.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.788 HD12 ' C ' ' A' ' 35' ' ' LYS . 2.2 mp 74.51 26.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.54 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -64.52 162.46 34.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.023 179.948 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.54 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.01 161.46 94.8 Favored 'Cis proline' 0 C--N 1.361 1.216 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.992 -0.037 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -139.25 101.77 4.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.618 -179.936 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -101.93 170.09 8.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.634 HD13 ' CG ' ' A' ' 31' ' ' TRP . 6.1 mt -132.73 98.75 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -99.7 118.14 45.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.662 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 0.6 OUTLIER -80.41 93.56 6.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.914 -179.945 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -75.46 108.14 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.923 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.49 99.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -116.63 53.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.12 -7.9 8.06 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.048 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 1.5 p -105.51 -179.61 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.357 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.591 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -76.18 143.38 41.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.599 1.187 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.54 -61.58 2.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.219 -179.977 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.594 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 5.0 m-20 -46.54 -39.39 10.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.956 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.566 HG21 ' OH ' ' A' ' 79' ' ' TYR . 43.3 m -63.43 -53.34 53.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.662 ' HB1' ' O ' ' A' ' 43' ' ' PHE . . . -59.02 -26.51 64.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -59.82 -55.34 35.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -69.65 -32.85 71.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.656 HD12 ' CE1' ' A' ' 79' ' ' TYR . 12.4 mt -82.6 1.13 39.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 2.6 m -101.05 156.09 17.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.971 -179.944 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.508 ' CE1' ' CD1' ' A' ' 69' ' ' PHE . 28.1 m-70 -135.88 98.52 3.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.6 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -94.0 25.0 3.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.43 -162.87 38.62 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 mp -144.03 165.73 26.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.07 123.25 12.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.504 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 11.0 m-85 -129.92 13.54 5.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -129.16 151.9 49.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.13 63.78 5.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.32 37.67 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -135.78 101.28 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 110.289 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 31' ' ' TRP . 0.9 OUTLIER -112.93 130.62 56.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.508 ' CD1' ' CE1' ' A' ' 58' ' ' HIS . 5.7 m-85 -82.98 171.93 13.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.426 1.079 . . . . 0.0 111.051 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 6.2 m -138.02 152.17 48.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 -179.951 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.438 ' OG ' HD22 ' A' ' 56' ' ' LEU . 41.9 t -142.01 142.83 32.94 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.495 ' O ' HD21 ' A' ' 56' ' ' LEU . 74.6 m -87.05 117.17 25.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.445 1.091 . . . . 0.0 110.367 -179.937 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.78 ' CD2' HD11 ' A' ' 23' ' ' ILE . 3.3 m-30 -104.57 64.1 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.623 HG22 ' HA2' ' A' ' 26' ' ' GLY . 0.7 OUTLIER -90.52 -57.1 2.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.464 179.975 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.21 119.35 64.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.418 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.96 101.22 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.448 1.762 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.68 -154.88 7.56 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.0 m -124.68 126.52 45.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 0.739 . . . . 0.0 110.316 -179.87 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 1.048 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 88.3 m-85 -120.05 105.83 11.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.5 m -80.61 100.18 8.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.418 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.555 ' CE1' ' HA3' ' A' ' 93' ' ' GLY . 20.9 p90 -107.95 132.1 53.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 111.045 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.705 ' HB3' HG13 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -144.19 -179.6 6.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -83.34 131.06 35.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 108.336 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.522 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 3.1 mt-10 -46.96 -50.33 45.71 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.03 -57.59 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.495 1.787 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -85.68 68.03 10.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.62 -64.01 1.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 179.931 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.21 50.0 0.86 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.71 -34.07 6.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 147.85 -20.85 1.45 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.565 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -91.16 102.92 15.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 0.747 . . . . 0.0 110.974 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.705 HG13 ' HB3' ' A' ' 82' ' ' TYR . 4.1 t -146.06 149.25 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.555 ' HA3' ' CE1' ' A' ' 81' ' ' TYR . . . -119.19 154.78 16.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.493 1.12 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -127.99 112.65 14.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 0.806 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.596 HG13 ' CE2' ' A' ' 73' ' ' PHE . 2.8 t -95.98 139.85 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.7 t -139.94 110.99 4.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.611 HG22 ' CD2' ' A' ' 73' ' ' PHE . 93.9 t -93.37 144.81 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.707 ' C ' ' HB2' ' A' ' 25' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -144.55 167.36 22.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.95 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 1.043 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -80.58 114.18 19.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.236 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 m -82.93 130.83 35.19 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.536 1.148 . . . . 0.0 110.362 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.6 HG11 ' OH ' ' A' ' 81' ' ' TYR . 70.2 t -144.9 106.7 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.22 138.44 38.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.497 ' CE ' ' O ' ' A' ' 39' ' ' HIS . 1.9 ptm -89.32 43.24 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.387 1.054 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 169.28 -141.39 6.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.394 1.059 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.5 m -156.97 141.36 16.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.055 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -76.8 66.95 2.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.396 1.06 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.83 -79.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.91 41.14 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 111.046 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.72 140.74 28.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.023 HD12 ' SD ' ' A' ' 91' ' ' MET . 0.9 OUTLIER -97.51 98.97 10.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -146.1 149.52 16.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.402 ' CD1' ' HE2' ' A' ' 81' ' ' TYR . 75.1 m-85 -88.18 120.0 29.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 2.8 tt0 -141.97 117.34 6.93 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.252 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.685 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -74.94 138.47 56.27 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.974 -2.511 . . . . 0.0 110.996 -0.068 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.6 p -65.25 -31.52 72.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 0.0 110.003 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.0 m -129.59 123.89 32.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.685 HG12 ' HG2' ' A' ' 18' ' ' PRO . 1.2 m -127.3 155.89 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.0 m -138.65 100.74 4.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.378 -179.931 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.907 HG21 ' HB2' ' A' ' 3' ' ' ALA . 1.3 pp -108.11 -178.86 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.672 ' O ' HD12 ' A' ' 23' ' ' ILE . 20.6 mmtt -74.37 177.72 5.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.233 -179.929 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.451 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . . . -100.34 91.72 4.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.88 -15.03 2.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.914 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.643 ' HB3' HD13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -75.41 174.54 9.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 110.315 179.955 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.451 ' HG3' ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -119.16 147.49 44.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 110.246 -179.956 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.043 HG22 ' HB3' ' A' ' 3' ' ' ALA . 3.0 t -116.85 140.92 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -120.07 155.02 33.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.243 -179.952 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.403 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 18.6 m-90 -120.76 168.21 11.67 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.3 t -145.23 129.63 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -98.57 134.39 41.58 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -119.72 -73.73 0.63 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.558 1.161 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.04 172.56 12.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.372 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.674 HD22 HD22 ' A' ' 14' ' ' LEU . 0.4 OUTLIER 71.95 71.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 179.969 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -124.62 159.95 55.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.398 1.061 . . . . 0.0 109.991 -179.976 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.851 ' HB2' HD12 ' A' ' 61' ' ' LEU . 18.5 Cg_endo -75.04 157.08 99.8 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.051 -2.479 . . . . 0.0 110.994 0.004 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.615 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -142.24 112.19 6.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 109.594 -179.975 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.41 ' HB3' HD13 ' A' ' 61' ' ' LEU . 1.7 p-10 -96.58 172.06 8.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.538 HG23 ' HB2' ' A' ' 81' ' ' TYR . 25.5 mt -134.25 104.22 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 -179.966 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -107.07 122.2 60.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.407 1.067 . . . . 0.0 109.322 -179.991 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.629 ' CE1' ' HB3' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -94.6 95.89 9.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.878 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -73.85 121.45 20.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.85 99.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -121.25 55.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.935 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 132.54 -13.67 5.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.605 HG21 ' CZ ' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -112.59 177.96 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 0.782 . . . . 0.0 109.327 179.955 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.504 ' O ' HG13 ' A' ' 48' ' ' VAL . 26.1 t0 -74.59 170.59 15.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 1.069 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -80.06 -70.14 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.24 -179.957 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.627 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 2.9 m-20 -39.55 -38.38 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.631 HG22 ' HE2' ' A' ' 79' ' ' TYR . 6.1 m -63.02 -54.24 41.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.79 -11.54 60.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -63.31 -63.81 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -36.88 83.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.021 HD11 ' O ' ' A' ' 72' ' ' THR . 0.1 OUTLIER -62.89 -30.67 71.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.6 m -74.71 162.2 28.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.952 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.468 ' ND1' ' CD1' ' A' ' 69' ' ' PHE . 82.4 m-70 -140.61 99.76 3.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.621 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -84.89 -51.76 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -43.95 107.2 0.12 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.946 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.851 HD12 ' HB2' ' A' ' 38' ' ' PRO . 4.1 mm? -53.48 -173.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.06 124.07 15.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.214 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.532 ' CZ ' ' HG3' ' A' ' 38' ' ' PRO . 8.8 m-85 -125.5 45.26 2.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.11 126.1 14.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.47 90.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.24 -179.911 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 130.94 45.21 0.16 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -96.3 127.22 42.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 110.246 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.0 m -132.04 112.19 12.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.014 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.468 ' CD1' ' ND1' ' A' ' 58' ' ' HIS . 1.4 m-85 -87.35 170.13 11.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.451 ' CG2' ' HG3' ' A' ' 28' ' ' GLU . 12.3 m -128.17 151.15 49.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.46 ' OG ' ' CD2' ' A' ' 56' ' ' LEU . 29.0 t -144.46 138.13 27.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.043 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 1.021 ' O ' HD11 ' A' ' 56' ' ' LEU . 17.4 m -97.34 115.32 27.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 110.451 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.709 ' CB ' HD11 ' A' ' 23' ' ' ILE . 3.5 m-30 -96.8 52.32 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.056 179.959 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.0 m -74.18 -65.98 0.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.7 122.52 74.69 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 105.76 2.14 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.447 1.762 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.33 -141.68 3.25 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.939 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 18.6 m -145.01 97.33 3.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.407 0.71 . . . . 0.0 110.401 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.691 ' CD2' HD22 ' A' ' 56' ' ' LEU . 85.9 m-85 -88.11 134.45 33.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 111.088 179.907 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.417 HG22 ' HG2' ' A' ' 94' ' ' LYS . 41.7 p -117.72 109.58 16.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.416 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.611 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 34.3 p90 -110.34 127.68 55.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.878 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -133.77 176.64 8.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 -179.98 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.436 ' O ' ' CA ' ' A' ' 87' ' ' ARG . 0.5 OUTLIER -84.55 135.9 34.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 108.367 179.931 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.508 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 2.0 mt-10 -56.3 -51.07 83.78 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -75.0 -47.79 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.443 1.76 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.601 ' CE1' HD13 ' A' ' 14' ' ' LEU . 29.5 m80 -92.29 36.66 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.389 1.056 . . . . 0.0 109.566 -179.933 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.549 ' CG ' ' CD1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -74.35 91.34 2.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 -179.945 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.92 12.53 57.71 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -179.938 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.81 -34.53 62.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 0.737 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.56 -35.27 0.17 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 0.0 111.076 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 1.023 ' SD ' HD12 ' A' ' 14' ' ' LEU . 11.4 ptm -96.78 120.8 37.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 0.781 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.603 HG13 ' HB3' ' A' ' 82' ' ' TYR . 3.3 t -147.23 153.46 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.414 ' HA3' ' CE1' ' A' ' 81' ' ' TYR . . . -118.0 151.05 18.09 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.417 ' HG2' HG22 ' A' ' 80' ' ' THR . 0.2 OUTLIER -141.32 93.79 2.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 0.795 . . . . 0.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.666 HG21 ' HZ ' ' A' ' 73' ' ' PHE . 1.4 t -81.08 148.34 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 0.0 109.268 179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.8 t -139.49 112.92 6.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.944 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.497 HG22 ' CD2' ' A' ' 73' ' ' PHE . 26.3 t -93.13 147.62 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.9 t70 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.957 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 132' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_